GproteinDb

TAK-779

Agent/drug
Bioactivity

TAK-779

SMILES	Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C[N+](C)(C)C4CCOCC4)cc2)CCC3)cc1
InChIKey	XNHZXMPLVSJQFK-UHFFFAOYSA-O

Chemical Properties

Hydrogen bond acceptors	2
Hydrogen bond donors	1
Rotatable bonds	6
Molecular weight (Da)	495.3

Database connections

PubChem Guide To Pharmacology ChEMBL_compound_ids GPCRdb
Ligand site mutations	CCR2 CCR5 CXCR3

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

CCR2	CCR2	Human	Chemokine	A	pKi	7.70	7.70	7.70	Guide to Pharmacology
CCR2	CCR2	Human	Chemokine	A	pKi	5.87	7.59	8.70	ChEMBL
CCR5	CCR5	Human	Chemokine	A	pKi	7.50	7.50	7.50	Guide to Pharmacology
CCR5	CCR5	Human	Chemokine	A	pKi	8.85	8.91	8.96	ChEMBL

Showing 1 to 4 of 4 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

CCR2	CCR2	Human	Chemokine	A	pIC50	7.30	8.19	10.52	ChEMBL
CCR2	CCR2	Mouse	Chemokine	A	pIC50	4.64	4.64	4.64	ChEMBL
CCR5	CCR5	Human	Chemokine	A	pIC50	8.10	8.74	8.92	ChEMBL
CCR5	CCR5	Human	Chemokine	A	pEC50	8.15	8.15	8.15	ChEMBL
CCR7	CCR7	Human	Chemokine	A	pIC50	8.85	8.85	8.85	ChEMBL
CXCR3	CXCR3	Human	Chemokine	A	pIC50	4.50	4.50	4.50	ChEMBL

Showing 1 to 6 of 6 entries

TAK-779

Drug properties

Molecular type	Small molecule
Physiological/Surrogate	Surrogate
Approved drug	No

Distribution across phases (no. indications)

Phase I 0

Phase II 0

Phase III 0

Phase IV

Database connections

PubChem Guide To Pharmacology ChEMBL_compound_ids GPCRdb
Ligand site mutations	CCR2 CCR5 CXCR3

Compound is not listed as a drug.