Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00397
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| Drug Name |
Vindesine
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| Synonyms |
3-(Aminocarbonyl)-O(sup 4)-deacetyl-3-de(methoxycarbonyl)vincaleukoblastine; 3-(aminocarbonyl)-O(4)-deacetyl-3-de(methoxycarbonyl)vincaleukoblastine; 3-Carbamoyl-4-deacetyl-3-de(methoxycarbonyl)vincaleukoblastine; 3-carbamoyl-O(4)-deacetyl-3-de(methoxycarbonyl)vincaleukoblastine; DAVA; Desacetylvinblastine amide; Lilly 112531; Methyl (5S,7S,9S)-9-[(2b,3b,4b,5a,12b,19a)-3-carbamoyl-3,4-dihydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidin-15-yl]-5-ethyl-5-hydroxy-1,4,5,6,7,8,9,10-octahydro-2H-3,7-methanoazacycloundecino[5,4-b]indole-9-carboxylate; Methyl (5S,7S,9S)-9-[(2beta,3beta,4beta,5alpha,12beta,19alpha)-3-carbamoyl-3,4-dihydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidin-15-yl]-5-ethyl-5-hydroxy-1,4,5,6,7,8,9,10-octahydro-2H-3,7-methanoazacycloundecino[5,4-b]indole-9-carboxylate; Vindesin; Vindesina; Vindesina [INN-Spanish]; Vindesine (USAN/INN); Vindesine [USAN:BAN:INN]; Vindesine [USAN:INN:BAN]; Vindesinum; Vindesinum [INN-Latin]
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| Drug Type |
Small molecular drug
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| Indication | Acute lymphoblastic leukemia [ICD11:2B33.0] | Approved | [1] | |||
| Therapeutic Class |
Anticancer Agents
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| Structure |
|
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| 3D MOL | 2D MOL | |||||
| Formula |
C43H55N5O7
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| Canonical SMILES |
CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)N)O)O)CC)OC)C(=O)OC)O
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| InChI |
InChI=1S/C43H55N5O7/c1-6-39(52)21-25-22-42(38(51)55-5,33-27(13-17-47(23-25)24-39)26-11-8-9-12-30(26)45-33)29-19-28-31(20-32(29)54-4)46(3)35-41(28)15-18-48-16-10-14-40(7-2,34(41)48)36(49)43(35,53)37(44)50/h8-12,14,19-20,25,34-36,45,49,52-53H,6-7,13,15-18,21-24H2,1-5H3,(H2,44,50)/t25-,34+,35-,36-,39+,40-,41-,42+,43+/m1/s1
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| InChIKey |
HHJUWIANJFBDHT-KOTLKJBCSA-N
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| CAS Number |
CAS 59917-39-4
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| Pharmaceutical Properties | Molecular Weight | 753.9 | Topological Polar Surface Area | 165 | ||
| Heavy Atom Count | 55 | Rotatable Bond Count | 7 | |||
| Hydrogen Bond Donor Count | 5 | Hydrogen Bond Acceptor Count | 10 | |||
| XLogP |
2.7
|
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| PubChem CID | ||||||
| PubChem SID |
102853537
,103504328
,104335455
,126686646
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,127301248
,127301249
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,127301251
,127301252
,127301253
,127301254
,127301255
,127301256
,127301257
,127301258
,127301259
,127301260
,127301261
,127301262
,127301263
,127301264
,127301265
,127301266
,127301267
,127301268
,127301269
,127301270
,127301271
,127301272
,127301273
,127301274
,127301275
,127301276
,127301277
,127301278
,134338223
,14937951
,24712319
,34706568
,46504548
,47207961
,48416698
,50063064
,53788169
,57312475
,77478141
,7980884
,8176819
,92309091
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| ChEBI ID |
ChEBI:32295
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | P-GP | Transporter Info | P-glycoprotein 1 | Substrate | [2] | |
| References | ||||||
| 1 | Natural products as sources of new drugs over the last 25 years. J Nat Prod. 2007 Mar;70(3):461-77. Epub 2007 Feb 20. | |||||
| 2 | Human intestinal transporter database: QSAR modeling and virtual profiling of drug uptake, efflux and interactions. Pharm Res. 2013 Apr;30(4):996-1007. | |||||
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