Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR01343
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| Drug Name |
Vinorelbine
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| Synonyms |
Eunades; Exelbine; NVB; Navelbine; Vinorelbin; Vinorelbina; Vinorelbinum; Navelbine base; Vinorelbina [Spanish]; Vinorelbine Ditartarate; Vinorelbine ditartrate; Vinorelbine tartrate; Vinorelbinum [Latin]; KW 2307; KW 2307 base; ANX-530; KW-2307; Navelbine (TN); SDP-012; Vinorelbine (INN); Vinorelbine [INN:BAN]; Aspidospermidine-3-carboxylic acid; Nor-5'-anhydrovinblastine; Methyl (2beta,3beta,4beta,5alpha,12beta,19alpha)-4-acetoxy-15-[(6R,8S)-4-ethyl-8-(methoxycarbonyl)-1,3,6,7,8,9-hexahydro-2,6-methanoazecino[4,3-b]indol-8-yl]-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate; Methyl (2b,3b,4b,5a,12b,19a)-4-(acetyloxy)-15-[(6R,8S)-4-ethyl-8-(methoxycarbonyl)-1,3,6,7,8,9-hexahydro-2,6-methanoazecino[4,3-b]indol-8-yl]-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate
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| Drug Type |
Small molecular drug
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| Indication | Non-small cell lung cancer [ICD11:2C25] | Approved | [1] | |||
| Therapeutic Class |
Anticancer Agents
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| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C45H54N4O8
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| Canonical SMILES |
CCC1=CC2CC(C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC
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| InChI |
InChI=1S/C45H54N4O8/c1-8-27-19-28-22-44(40(51)55-6,36-30(25-48(23-27)24-28)29-13-10-11-14-33(29)46-36)32-20-31-34(21-35(32)54-5)47(4)38-43(31)16-18-49-17-12-15-42(9-2,37(43)49)39(57-26(3)50)45(38,53)41(52)56-7/h10-15,19-21,28,37-39,46,53H,8-9,16-18,22-25H2,1-7H3/t28-,37-,38+,39+,42+,43+,44-,45-/m0/s1
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| InChIKey |
GBABOYUKABKIAF-IELIFDKJSA-N
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| CAS Number |
CAS 71486-22-1
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| Pharmaceutical Properties | Molecular Weight | 778.9 | Topological Polar Surface Area | 134 | ||
| Heavy Atom Count | 57 | Rotatable Bond Count | 10 | |||
| Hydrogen Bond Donor Count | 2 | Hydrogen Bond Acceptor Count | 11 | |||
| XLogP |
3.6
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| PubChem CID | ||||||
| PubChem SID |
7980885
,11056542
,12013497
,16335940
,39341162
,56311577
,56312628
,57288872
,57359504
,78753678
,85670095
,92309089
,96025363
,99031250
,119526325
,124893200
,135049333
,136123131
,137001869
,152258373
,152344178
,160647210
,162011810
,162178830
,162224736
,163312394
,164831120
,175266041
,175608041
,176484268
,178103682
,179116945
,203356012
,226396694
,241376439
,252157261
,252359089
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| ChEBI ID |
CHEBI:480999
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | P-GP | Transporter Info | P-glycoprotein 1 | Substrate | [2] | |
| References | ||||||
| 1 | Vinorelbine was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019) | |||||
| 2 | Rational use of in vitro P-glycoprotein assays in drug discovery. J Pharmacol Exp Ther. 2001 Nov;299(2):620-8. | |||||
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