3-(2-chlorophenyl)-2-(5-((4aR,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicen-4a-yl)pentanamido)propanoic acid

InChIKey	`ZTPPUVKHQVZMRZ-FAESTUAFSA-N`
Compound Name	3-(2-chlorophenyl)-2-(5-((4aR,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicen-4a-yl)pentanamido)propanoic acid
Canonical SMILES	`CC1(C)CC[C@]2(CCCCC(=O)NC(Cc3ccccc3Cl)C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	4
Pfam Stratification	Cross-Family
Avg pChEMBL	6.22
Source	BindingDB;ChEMBL

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P17706	PTPN2	Homo sapiens	Human	PF00102	6.3	IC50	ChEMBL;BindingDB
P18031	PTPN1	Homo sapiens	Human	PF00102	6.2	IC50	ChEMBL;BindingDB
Q76353		Human immunodeficiency virus type 1	Pathogen	PF00552 PF02022 PF00665	6.2	IC50	BindingDB
Q7ZJM1	pol	Human immunodeficiency virus type 1	Pathogen	PF00552 PF02022 PF00665	6.2	IC50	ChEMBL