Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D00PBX
|
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| Former ID |
DNCL003532
|
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| Drug Name |
GDC-0199
|
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| Drug Type |
Small molecular drug
|
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| Indication | Chronic lymphocytic leukaemia [ICD-11: 2A82.0; ICD-10: C83.0, C91.1] | Approved | [1] | |
| Solid tumour/cancer [ICD-11: 2A00-2F9Z; ICD-10: C76-C80; ICD-9: 140-229] | Approved | [2] | ||
| Company |
AbbVie
|
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| Structure |
 |
Download2D 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 |
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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| PubChem Compound ID | ||||
| PubChem Substance ID |
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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| References | Top | |||
|---|---|---|---|---|
| REF 1 | 2016 FDA drug approvals. Nat Rev Drug Discov. 2017 Feb 2;16(2):73-76. | |||
| REF 2 | Small molecules, big targets: drug discovery faces the protein-protein interaction challenge.Nat Rev Drug Discov. 2016 Aug;15(8):533-50. | |||
| REF 3 | ABT-199, a potent and selective BCL-2 inhibitor, achieves antitumor activity while sparing platelets. Nat Med. 2013 Feb;19(2):202-8. | |||
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