Details of the Drug

General Information of Drug (ID: DM0MTYR)

Drug Name

GRL-0036A

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

Indication

Disease Entry	ICD 11	Status	REF
Human immunodeficiency virus-1 infection	1C62	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

Chemical Identifiers

Formula: C29H40N2O7S2
Canonical SMILES: CC(C)CN(CC(C(CSC1=CC=CC=C1)NC(=O)OC2CC3CCOC3C2)O)S(=O)(=O)C4=CC=C(C=C4)CO
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
InChIKey: MNXUZAOQXFTGTG-GOIXWRCSSA-N

Cross-matching ID

PubChem CID: 44448261
TTD ID: D00FEA

References

1	The ChEMBL database in 2017. Nucleic Acids Res. 2017 Jan 4;45(D1):D945-D954.