270:(absorption, distribution, metabolism, excretion and toxicity) parameters. Version 3.0 was released in 2011. This version contained 1424 approved small molecule drugs and 132 biotech drugs as well as >4000 unique drug targets. Version 3.0 also included drug transporter data, drug pathway data, drug pricing, patent and manufacturing data as well as data on >5000 experimental drugs. Version 4.0 was released in 2014. This version included 1558 FDA-approved small molecule drugs, 155 biotech drugs and 4200 unique drug targets. Version 4.0 also incorporated extensive information on drug metabolites (structures and reactions), drug taxonomy, drug spectra, drug
27:
1406:
Wishart, DS; Guo, AC; Eisner, R; Young, N; Gautam, B; Hau, DD; Psychogios, N; Dong, E; Bouatra, S; Mandal, R; Sinelnikov, I; Xia, J; Jia, L; Cruz, JA; Lim, E; Sobsey, CA; Shrivastava, S; Huang, P; Liu, P; Fang, L; Peng, J; Fradette, R; Cheng, D; Tzur, D; Clements, M; Lewis, A; De Souza, A; Zuniga, A;
186:
The DrugBank Online website is available to the public as a free-to-access resource. However, use and re-distribution of content from DrugBank Online or the underlying DrugBank Data, in whole or part, and for any purpose requires a license. Academic users can apply for a free license for certain use
257:
The first version of DrugBank was released in 2006. This early release contained relatively modest information about 841 FDA-approved small molecule drugs and 113 biotech drugs. It also included information on 2133 drug targets. The second version of DrugBank was released in 2009. This greatly
52:
Chemical structures, small molecule drugs, biotech drugs, drug targets, drug transporters, drug target sequences, drug target SNPs, drug metabolites, drug descriptions, disease associations, dosage data, food and drug interactions, adverse drug reactions, pharmacology, mechanisms of action, drug
218:/transporter/carrier) sequences are linked to these drug entries. Each DrugCard entry (Fig. 1) contains more than 200 data fields with half of the information being devoted to drug/chemical data and the other half devoted to drug target or protein data.
1143:
All data in DrugBank is derived from public non-proprietary sources. Nearly every data item is fully traceable and explicitly referenced to the original source. DrugBank data is available through a public web interface.
174:
resource, DrugBank combines detailed drug (i.e. chemical, pharmacological and pharmaceutical) data with comprehensive drug target (i.e. sequence, structure, and pathway) information. DrugBank has used content from
1357:
Law, V; Knox, C; Djoumbou, Y; Jewison, T; Guo, AC; Liu, Y; Maciejewski, A; Arndt, D; Wilson, M; Neveu, V; Tang, A; Gabriel, G; Ly, C; Adamjee, S; Dame, ZT; Han, B; Zhou, Y; Wishart, DS (Jan 2014).
258:
expanded and improved version of the database included 1344 approved small molecule drugs and 123 biotech drugs as well as 3037 unique drug targets. Version 2.0 also included, for the first time,
53:
metabolism, chemical synthesis, patent and pricing data, chemical properties, nomenclature, synonyms, chemical taxonomy, drug NMR spectra, drug GC-MS spectra, drug LC-MS spectra
1554:
Knox, C; Law, V; Jewison, T; Liu, P; Ly, S; Frolkis, A; Pon, A; Banco, K; Mak, C; Neveu, V; Djoumbou, Y; Eisner, R; Guo, AC; Wishart, DS. (Jan 2011).
274:
and drug synthesis information. Table 1 provides a more complete statistical summary of the history of DrugBank's development.
233:
databases. HMDB contains equivalent information on more than 40,000 human metabolites, T3DB contains information on 3100 common
1327:
1407:
Dawe, M; Xiong, Y; Clive, D; Greiner, R; Nazyrova, A; Shaykhutdinov, R; Li, L; Vogel, HJ; Forsythe, I (Jan 2009).
1667:
1662:
1672:
1193:
1173:
1657:
1163:
245:
and disease pathways, while FooDB contains equivalent information on ~28,000 food components and
1604:
163:
1456:
Lim, E; Pon A; Djoumbou Y; Knox C; Shrivastava S; Guo AC; Neveu V; Wishart DS. (Jan 2010).
190:
The latest release of the database (version 5.0) contains 9591 drug entries including 2037
158:
database is a comprehensive, freely accessible, online database containing information on
8:
1328:"The Dizzying Problem of Citationless Knowledge "Facts" That Take On a Life of Their Own"
1629:
1580:
1555:
1531:
1506:
1482:
1457:
1433:
1408:
1383:
1358:
1300:
1275:
1248:
1223:
242:
180:
1634:
1585:
1536:
1487:
1438:
1388:
1305:
1253:
278:
Table 1. Comparison between the coverage in DrugBank 1.0, 2.0, 3.0 and DrugBank 4.0.
211:
1624:
1616:
1575:
1567:
1526:
1518:
1477:
1469:
1428:
1420:
1378:
1370:
1295:
1287:
1243:
1235:
1219:
271:
76:
1605:"DrugBank: a comprehensive resource for in silico drug discovery and exploration"
1224:"DrugBank: a comprehensive resource for in silico drug discovery and exploration"
1158:
171:
63:
86:
DrugBank: a comprehensive resource for in silico drug discovery and exploration.
1458:"T3DB: a comprehensively annotated database of common toxins and their targets"
259:
246:
230:
207:
195:
1651:
263:
68:
University of
Alberta and The Metabolomics Innovation Centre, Alberta, Canada
1638:
1589:
1540:
1491:
1442:
1392:
1309:
1257:
1178:
1571:
1522:
1374:
1620:
1473:
1424:
1291:
1239:
226:
238:
1556:"DrugBank 3.0: a comprehensive resource for 'omics' research on drugs"
176:
1276:"DrugBank: a knowledgebase for drugs, drug actions and drug targets"
116:
203:
199:
167:
26:
16:
Online database containing information on drugs and drug targets
1153:
234:
215:
1183:
222:
214:. Additionally, 4270 non-redundant protein (i.e. drug target/
266:, extensive food-drug and drug-drug interactions as well as
1188:
1168:
267:
179:; Knowledge also often links to Drugbank, posing potential
159:
1553:
100:
191:
1455:
241:, SMPDB contains pathway diagrams for nearly 700 human
1505:
Jewison, T; Su Y; Disfany FM; et al. (Jan 2014).
1356:
1130:
1125:
1120:
1115:
1103:
1098:
1093:
1088:
1076:
1071:
1066:
1061:
1049:
1044:
1039:
1034:
1022:
1017:
1012:
1007:
995:
990:
985:
980:
976:
Total No. of experimental and FDA small molecule drugs
968:
963:
958:
953:
941:
936:
931:
926:
914:
909:
904:
899:
887:
882:
877:
872:
860:
855:
850:
845:
833:
828:
823:
818:
806:
801:
796:
791:
779:
774:
769:
764:
752:
747:
742:
737:
725:
720:
715:
710:
698:
693:
688:
683:
671:
666:
661:
656:
644:
639:
634:
629:
617:
612:
607:
602:
590:
585:
580:
575:
563:
558:
553:
548:
536:
531:
526:
521:
517:
No. of drugs with taxonomic classification information
509:
504:
499:
494:
482:
477:
472:
467:
455:
450:
445:
440:
428:
423:
418:
413:
401:
396:
391:
386:
374:
369:
364:
359:
347:
342:
337:
332:
320:
315:
310:
305:
1504:
1405:
1359:"DrugBank 5.0: shedding new light on drug metabolism"
1274:
Wishart, DS; Knox C; Guo AC; et al. (Jan 2008).
187:
cases while all other users require a paid license.
1273:
1218:
1003:
Total No. of experimental and FDA drugs (all types)
706:
No. of drugs with drug-target binding constant data
571:No. of drugs with patent/pricing/manufacturer data
166:and The Metabolomics Innovation Centre located in
140:Every 2 years with monthly corrections and updates
221:Four additional databases, HMDB, T3DB, SMPDB and
1649:
1409:"HMDB: a knowledgebase for the human metabolome"
787:No. of drugs with chemical synthesis information
162:and drug targets created and maintained by the
1352:
1350:
1348:
1269:
1267:
1214:
1212:
1210:
1208:
1057:No. of approved-drug enzymes/carriers (unique)
1321:
1319:
1547:
1498:
1449:
1399:
1345:
1264:
1205:
463:No. of illustrated drug metabolism pathways
382:No. of drugs with metabolizing enzyme data
1316:
1222:; Knox C; Guo AC; et al. (Jan 2006).
25:
1628:
1579:
1530:
1481:
1432:
1382:
1299:
1247:
1084:No. of all drug enzymes/carriers (unique)
170:, Canada. As both a bioinformatics and a
1325:
814:No. of FDA-approved small molecule drugs
355:No. of illustrated drug-action pathways
1602:
490:No. of drugs with drug transporter data
409:No. of drug metabolites with structures
1650:
652:No. of ADMET parameters (Caco-2, LogS)
225:are also part of a general suite of
1138:
13:
1326:Harrison, Stephen (7 March 2019).
544:No. of SNP-associated drug effects
252:
14:
1684:
1507:"Small Molecule Pathway Database"
198:drugs, 241 FDA-approved biotech (
1030:No. of all drug targets (unique)
436:No. of drug-metabolism reactions
679:No. of QSAR parameters per drug
301:No. of data fields per DrugCard
1596:
1111:No. of external database links
1:
1199:
733:No. of drugs with NMR spectra
625:No. of drug–drug interactions
598:No. of food–drug interactions
1566:(Database issue): D1035-41.
1194:Therapeutic Targets Database
1174:List of biological databases
760:No. of drugs with MS spectra
7:
1517:(Database issue): D478-84.
1419:(Database issue): D603-10.
1369:(Database issue): D1091-7.
1234:(Database issue): D668-72.
1147:
1129:
1124:
1119:
1114:
1102:
1097:
1092:
1087:
1075:
1070:
1065:
1060:
1048:
1043:
1038:
1033:
1021:
1016:
1011:
1006:
994:
989:
984:
979:
967:
962:
957:
952:
940:
935:
930:
925:
913:
908:
903:
898:
886:
881:
876:
871:
859:
854:
849:
844:
832:
827:
822:
817:
805:
800:
795:
790:
778:
773:
768:
763:
751:
746:
741:
736:
724:
719:
714:
709:
697:
692:
687:
682:
670:
665:
660:
655:
643:
638:
633:
628:
616:
611:
606:
601:
589:
584:
579:
574:
562:
557:
552:
547:
535:
530:
525:
520:
508:
503:
498:
493:
481:
476:
471:
466:
454:
449:
444:
439:
427:
422:
417:
412:
400:
395:
390:
385:
373:
368:
363:
358:
346:
341:
336:
331:
319:
314:
309:
304:
10:
1689:
1603:Wishart, David S. (2006).
1468:(Database issue): D781-6.
1286:(Database issue): D901-6.
868:No. of nutraceutical drugs
949:No. of experimental drugs
144:
134:
129:
111:
95:
90:
82:
72:
62:
57:
46:
38:
33:
24:
1668:Human drug metabolites
1609:Nucleic Acids Research
1560:Nucleic Acids Research
1511:Nucleic Acids Research
1462:Nucleic Acids Research
1413:Nucleic Acids Research
1363:Nucleic Acids Research
1280:Nucleic Acids Research
1228:Nucleic Acids Research
895:No. of withdrawn drugs
1663:Metabolomic databases
164:University of Alberta
1673:Biological databases
1615:(suppl_1): 668–672.
922:No. of illicit drugs
841:No. of biotech drugs
1572:10.1093/nar/gkq1126
1523:10.1093/nar/gkt1067
1375:10.1093/nar/gkt1068
328:No. of search types
279:
21:
1658:Chemical databases
1621:10.1093/nar/gkj067
1474:10.1093/nar/gkp934
1425:10.1093/nar/gkn810
1292:10.1093/nar/gkm958
1240:10.1093/nar/gkj067
277:
243:metabolic pathways
237:and environmental
212:experimental drugs
181:circular reporting
19:
1136:
1135:
272:binding constants
152:
151:
1680:
1643:
1642:
1632:
1600:
1594:
1593:
1583:
1551:
1545:
1544:
1534:
1502:
1496:
1495:
1485:
1453:
1447:
1446:
1436:
1403:
1397:
1396:
1386:
1354:
1343:
1342:
1340:
1338:
1323:
1314:
1313:
1303:
1271:
1262:
1261:
1251:
1216:
1139:Scope and access
1132:
1127:
1122:
1117:
1105:
1100:
1095:
1090:
1078:
1073:
1068:
1063:
1051:
1046:
1041:
1036:
1024:
1019:
1014:
1009:
997:
992:
987:
982:
970:
965:
960:
955:
943:
938:
933:
928:
916:
911:
906:
901:
889:
884:
879:
874:
862:
857:
852:
847:
835:
830:
825:
820:
808:
803:
798:
793:
781:
776:
771:
766:
754:
749:
744:
739:
727:
722:
717:
712:
700:
695:
690:
685:
673:
668:
663:
658:
646:
641:
636:
631:
619:
614:
609:
604:
592:
587:
582:
577:
565:
560:
555:
550:
538:
533:
528:
523:
511:
506:
501:
496:
484:
479:
474:
469:
457:
452:
447:
442:
430:
425:
420:
415:
403:
398:
393:
388:
376:
371:
366:
361:
349:
344:
339:
334:
322:
317:
312:
307:
280:
276:
148:Manually curated
125:
122:
120:
118:
107:
104:
102:
83:Primary citation
77:David S. Wishart
29:
22:
18:
1688:
1687:
1683:
1682:
1681:
1679:
1678:
1677:
1648:
1647:
1646:
1601:
1597:
1552:
1548:
1503:
1499:
1454:
1450:
1404:
1400:
1355:
1346:
1336:
1334:
1324:
1317:
1272:
1265:
1217:
1206:
1202:
1159:Drug metabolism
1150:
1141:
260:withdrawn drugs
255:
253:Version history
172:cheminformatics
145:Curation policy
136:
115:
99:
64:Research center
48:
17:
12:
11:
5:
1686:
1676:
1675:
1670:
1665:
1660:
1645:
1644:
1595:
1546:
1497:
1448:
1398:
1344:
1332:Slate Magazine
1315:
1263:
1203:
1201:
1198:
1197:
1196:
1191:
1186:
1181:
1176:
1171:
1166:
1161:
1156:
1149:
1146:
1140:
1137:
1134:
1133:
1128:
1123:
1118:
1113:
1107:
1106:
1101:
1096:
1091:
1086:
1080:
1079:
1074:
1069:
1064:
1059:
1053:
1052:
1047:
1042:
1037:
1032:
1026:
1025:
1020:
1015:
1010:
1005:
999:
998:
993:
988:
983:
978:
972:
971:
966:
961:
956:
951:
945:
944:
939:
934:
929:
924:
918:
917:
912:
907:
902:
897:
891:
890:
885:
880:
875:
870:
864:
863:
858:
853:
848:
843:
837:
836:
831:
826:
821:
816:
810:
809:
804:
799:
794:
789:
783:
782:
777:
772:
767:
762:
756:
755:
750:
745:
740:
735:
729:
728:
723:
718:
713:
708:
702:
701:
696:
691:
686:
681:
675:
674:
669:
664:
659:
654:
648:
647:
642:
637:
632:
627:
621:
620:
615:
610:
605:
600:
594:
593:
588:
583:
578:
573:
567:
566:
561:
556:
551:
546:
540:
539:
534:
529:
524:
519:
513:
512:
507:
502:
497:
492:
486:
485:
480:
475:
470:
465:
459:
458:
453:
448:
443:
438:
432:
431:
426:
421:
416:
411:
405:
404:
399:
394:
389:
384:
378:
377:
372:
367:
362:
357:
351:
350:
345:
340:
335:
330:
324:
323:
318:
313:
308:
303:
297:
296:
293:
290:
287:
284:
254:
251:
247:food additives
231:cheminformatic
210:and over 6000
208:nutraceuticals
196:small molecule
150:
149:
146:
142:
141:
138:
132:
131:
127:
126:
113:
109:
108:
97:
93:
92:
88:
87:
84:
80:
79:
74:
70:
69:
66:
60:
59:
55:
54:
50:
44:
43:
40:
36:
35:
31:
30:
15:
9:
6:
4:
3:
2:
1685:
1674:
1671:
1669:
1666:
1664:
1661:
1659:
1656:
1655:
1653:
1640:
1636:
1631:
1626:
1622:
1618:
1614:
1610:
1606:
1599:
1591:
1587:
1582:
1577:
1573:
1569:
1565:
1561:
1557:
1550:
1542:
1538:
1533:
1528:
1524:
1520:
1516:
1512:
1508:
1501:
1493:
1489:
1484:
1479:
1475:
1471:
1467:
1463:
1459:
1452:
1444:
1440:
1435:
1430:
1426:
1422:
1418:
1414:
1410:
1402:
1394:
1390:
1385:
1380:
1376:
1372:
1368:
1364:
1360:
1353:
1351:
1349:
1333:
1329:
1322:
1320:
1311:
1307:
1302:
1297:
1293:
1289:
1285:
1281:
1277:
1270:
1268:
1259:
1255:
1250:
1245:
1241:
1237:
1233:
1229:
1225:
1221:
1215:
1213:
1211:
1209:
1204:
1195:
1192:
1190:
1187:
1185:
1182:
1180:
1177:
1175:
1172:
1170:
1167:
1165:
1162:
1160:
1157:
1155:
1152:
1151:
1145:
1112:
1109:
1108:
1085:
1082:
1081:
1058:
1055:
1054:
1031:
1028:
1027:
1004:
1001:
1000:
977:
974:
973:
950:
947:
946:
923:
920:
919:
896:
893:
892:
869:
866:
865:
842:
839:
838:
815:
812:
811:
788:
785:
784:
761:
758:
757:
734:
731:
730:
707:
704:
703:
680:
677:
676:
653:
650:
649:
626:
623:
622:
599:
596:
595:
572:
569:
568:
545:
542:
541:
518:
515:
514:
491:
488:
487:
464:
461:
460:
437:
434:
433:
410:
407:
406:
383:
380:
379:
356:
353:
352:
329:
326:
325:
302:
299:
298:
294:
291:
288:
285:
282:
281:
275:
273:
269:
265:
264:illicit drugs
261:
250:
248:
244:
240:
236:
232:
228:
224:
219:
217:
213:
209:
205:
201:
197:
193:
188:
184:
182:
178:
173:
169:
165:
161:
157:
147:
143:
139:
133:
130:Miscellaneous
128:
124:
114:
110:
106:
98:
94:
89:
85:
81:
78:
75:
71:
67:
65:
61:
56:
51:
45:
42:Drug database
41:
37:
32:
28:
23:
1612:
1608:
1598:
1563:
1559:
1549:
1514:
1510:
1500:
1465:
1461:
1451:
1416:
1412:
1401:
1366:
1362:
1335:. Retrieved
1331:
1283:
1279:
1231:
1227:
1179:Pharmacology
1142:
1110:
1083:
1056:
1029:
1002:
975:
948:
921:
894:
867:
840:
813:
786:
759:
732:
705:
678:
651:
624:
597:
570:
543:
516:
489:
462:
435:
408:
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206:) drugs, 96
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135:Data release
112:Download URL
1220:Wishart, DS
227:metabolomic
39:Description
1652:Categories
1337:9 November
1200:References
239:pollutants
194:-approved
123:/downloads
73:Laboratory
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283:Category
177:Knowledge
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156:DrugBank
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