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Structural analog

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224: 210: 238: 180: 151: 165: 72:, or substructures, which are replaced with other atoms, groups, or substructures. A structural analog can be imagined to be formed, at least theoretically, from the other compound. Structural analogs are often 501:
Rester, Ulrich (2008). "From virtuality to reality - Virtual screening in lead discovery and lead optimization: A medicinal chemistry perspective".
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Martin, Yvonne C.; Kofron, James L.; Traphagen, Linda M. (2002). "Do Structurally Similar Molecules Have Similar Biological Activity?".
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Schnecke, Volker & Boström, Jonas (2006). "Computational chemistry-driven decision making in lead generation".
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substance that has substantially similar pharmacological effects, with the intent of human consumption.
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similar to that of another compound, but differing from it in respect to a certain component.
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and can have very different physical, chemical, biochemical, or pharmacological properties.
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N. Nikolova; J. Jaworska (2003). "Approaches to Measure Chemical Similarity - a Review".
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are developed and sold in order to circumvent laws. Such substances are often called
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Despite a high chemical similarity, structural analogs are not necessarily
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in 1986. This bill banned the production of any chemical analogue of a
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This article is about the chemistry term. For related uses, see
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Compound having a structure similar to that of another compound
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Willett, Peter; Barnard, John M.; Downs, Geoffrey M. (1998).
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A neurotransmitter analog is a structural analogue of a
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Analoging in ChEMBL, DrugBank and the Connectivity Map
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Journal of Chemical Information and Computer Sciences
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Current Opinion in Drug Discovery & Development
334: 381:Concepts and Applications of Molecular Similarity 547: 117:. Because of this, the United States passed the 500: 494: 459: 397: 372: 253: 424: 355: 328: 14: 548: 379:A. M. Johnson; G. M. Maggiora (1990). 94:are created and tested as part of a 383:. New York: John Wiley & Sons. 24: 25: 567: 525: 188:, a structural analog of methanol 173:, a structural analog of methanol 406:QSAR & Combinatorial Science 236: 222: 208: 178: 163: 149: 337:"Chemical Similarity Searching" 96:structure–activity relationship 433:Journal of Medicinal Chemistry 13: 1: 480:10.1016/S1359-6446(05)03703-7 321: 64:It can differ in one or more 102:for structural analogs of a 7: 286: 132: 10: 572: 542:, and the Connectivity Map 29: 266:. Some examples include: 316:Transition state analog 254:Neurotransmitter analog 98:study or a database is 36:analog (disambiguation) 418:10.1002/qsar.200330831 293:Derivative (chemistry) 271:Catecholamine analogue 109:Chemical analogues of 556:Chemical nomenclature 468:Drug Discovery Today 298:Federal Analogue Act 119:Federal Analogue Act 412:(9–10): 1006–1026. 276:Serotonin analogue 81:functional analogs 45:, also known as a 18:Analog (chemistry) 445:10.1021/jm020155c 439:(19): 4350–4358. 390:978-0-471-62175-1 366:10.1021/ci9800211 304:Functional analog 70:functional groups 43:structural analog 32:analogical models 16:(Redirected from 563: 519: 518: 498: 492: 491: 463: 457: 456: 428: 422: 421: 401: 395: 394: 376: 370: 369: 359: 341: 332: 260:neurotransmitter 240: 226: 212: 182: 167: 153: 21: 571: 570: 566: 565: 564: 562: 561: 560: 546: 545: 528: 523: 522: 499: 495: 464: 460: 429: 425: 402: 398: 391: 377: 373: 357:10.1.1.453.1788 339: 333: 329: 324: 289: 256: 251: 250: 249: 246: 244:Methamphetamine 241: 232: 227: 218: 213: 202: 201: 199:Phenethylamines 194: 193: 192: 189: 183: 174: 168: 159: 154: 143: 142: 135: 47:chemical analog 39: 28: 23: 22: 15: 12: 11: 5: 569: 559: 558: 544: 543: 527: 526:External links 524: 521: 520: 493: 474:(1–2): 43–50. 458: 423: 396: 389: 371: 350:(6): 983–996. 326: 325: 323: 320: 319: 318: 313: 307: 301: 295: 288: 285: 284: 283: 278: 273: 262:, typically a 255: 252: 248: 247: 242: 235: 233: 228: 221: 219: 216:Phenethylamine 214: 207: 204: 203: 197: 196: 195: 191: 190: 184: 177: 175: 169: 162: 160: 155: 148: 145: 144: 138: 137: 136: 134: 131: 115:designer drugs 88:drug discovery 26: 9: 6: 4: 3: 2: 568: 557: 554: 553: 551: 541: 537: 533: 530: 529: 516: 512: 509:(4): 559–68. 508: 504: 497: 489: 485: 481: 477: 473: 469: 462: 454: 450: 446: 442: 438: 434: 427: 419: 415: 411: 407: 400: 392: 386: 382: 375: 367: 363: 358: 353: 349: 345: 338: 331: 327: 317: 314: 311: 308: 305: 302: 299: 296: 294: 291: 290: 282: 281:GABA analogue 279: 277: 274: 272: 269: 268: 267: 265: 261: 245: 239: 234: 231: 225: 220: 217: 211: 206: 205: 200: 187: 181: 176: 172: 166: 161: 158: 152: 147: 146: 141: 130: 128: 124: 120: 116: 112: 111:illegal drugs 107: 105: 104:lead compound 101: 97: 93: 92:lead compound 89: 84: 82: 77: 75: 74:isoelectronic 71: 67: 62: 60: 56: 52: 49:or simply an 48: 44: 37: 33: 19: 506: 502: 496: 471: 467: 461: 436: 432: 426: 409: 405: 399: 380: 374: 347: 343: 330: 257: 186:Methanethiol 108: 85: 78: 63: 50: 46: 42: 40: 230:Amphetamine 127:Schedule II 322:References 123:Schedule I 352:CiteSeerX 59:structure 57:having a 550:Category 540:DrugBank 515:18600572 488:16478690 453:12213076 287:See also 157:Methanol 140:Alcohols 133:Examples 100:screened 55:compound 310:Homolog 171:Silanol 53:, is a 536:ChEMBL 513:  486:  451:  387:  354:  51:analog 340:(PDF) 66:atoms 511:PMID 484:PMID 449:PMID 385:ISBN 264:drug 34:and 476:doi 441:doi 414:doi 362:doi 125:or 86:In 552:: 538:, 507:11 505:. 482:. 472:11 470:. 447:. 437:45 435:. 410:22 408:. 360:. 348:38 346:. 342:. 106:. 76:. 68:, 41:A 517:. 490:. 478:: 455:. 443:: 420:. 416:: 393:. 368:. 364:: 38:. 20:)

Index

Analog (chemistry)
analogical models
analog (disambiguation)
compound
structure
atoms
functional groups
isoelectronic
functional analogs
drug discovery
lead compound
structure–activity relationship
screened
lead compound
illegal drugs
designer drugs
Federal Analogue Act
Schedule I
Schedule II
Alcohols
Methanol
Methanol
Silanol
Silanol
Methanethiol
Methanethiol
Phenethylamines
Phenethylamine
Phenethylamine
Amphetamine

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