Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D00FEA
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| Former ID |
DIB009610
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| Drug Name |
GRL-0036A
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| Synonyms |
G31; GRL-02031; GRL-06579A; GRL-1388; GRL-1398; GRL-216; GRL-246; GRL-286; GRL-396; GRL-98065; G31, Purdue University/NCI/Kumamoto University; HIV-1 protease inhibitors, Purdue University/NCI/Kumamoto University
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| Drug Type |
Small molecular drug
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| Indication | Human immunodeficiency virus-1 infection [ICD-11: 1C62; ICD-10: B20-B24] | Investigative | [1] | |
| Company |
Purdue University
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| Structure |
 |
Download2D MOL |
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| Formula |
C29H40N2O7S2
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| Canonical SMILES |
CC(C)CN(CC(C(CSC1=CC=CC=C1)NC(=O)OC2CC3CCOC3C2)O)S(=O)(=O)C4=CC=C(C=C4)CO
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| InChI |
1S/C29H40N2O7S2/c1-20(2)16-31(40(35,36)25-10-8-21(18-32)9-11-25)17-27(33)26(19-39-24-6-4-3-5-7-24)30-29(34)38-23-14-22-12-13-37-28(22)15-23/h3-11,20,22-23,26-28,32-33H,12-19H2,1-2H3,(H,30,34)/t22-,23+,26-,27+,28+/m0/s1
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| InChIKey |
MNXUZAOQXFTGTG-GOIXWRCSSA-N
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| PubChem Compound ID | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | The ChEMBL database in 2017. Nucleic Acids Res. 2017 Jan 4;45(D1):D945-D954. | |||
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