Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00008
|
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| Drug Name |
Venetoclax
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| Synonyms |
Venclexta
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| Drug Type |
Small molecular drug
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| Indication | Chronic lymphocytic leukemia [ICD11:2A82.0] | Approved | [1] | |||
| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C45H50ClN7O7S
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| Canonical SMILES |
CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C
|
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| InChI |
InChI=1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54)
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| InChIKey |
LQBVNQSMGBZMKD-UHFFFAOYSA-N
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| CAS Number |
CAS 1257044-40-8
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| Pharmaceutical Properties | Molecular Weight | 868.4 | Topological Polar Surface Area | 183 | ||
| Heavy Atom Count | 61 | Rotatable Bond Count | 12 | |||
| Hydrogen Bond Donor Count | 3 | Hydrogen Bond Acceptor Count | 11 | |||
| XLogP |
8.2
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| PubChem CID | ||||||
| PubChem SID |
104174762
,121138507
,163620947
,163643283
,163686269
,164194131
,172821369
,174006982
,184826868
,184826869
,194147759
,198955872
,198994028
,223704851
,225848221
,226835897
,242587479
,244605658
,251910672
,251970551
,252126157
,252151319
,252160763
,252166530
,252214644
,252269026
,252446873
,252450873
,252552037
,252810258
,252819663
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| ChEBI ID |
CHEBI:133021
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | P-GP | Transporter Info | P-glycoprotein 1 | Substrate | [2] | |
| References | ||||||
| 1 | Venetoclax was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019) | |||||
| 2 | Venclexta FDA label | |||||
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