GPCRdb

CHEMBL603708

Agent/drug
Bioactivity

CHEMBL603708

SMILES	O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1-c1ccccc1
InChIKey	PHOVIPPURLHZTI-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	2
Hydrogen bond donors	1
Rotatable bonds	4
Molecular weight (Da)	446.2

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

OT	OXYR	Human	Vasopressin and oxytocin	A	pKi	6.96	7.02	7.20	ChEMBL
V_1A	V1AR	Human	Vasopressin and oxytocin	A	pKi	7.85	8.38	8.56	ChEMBL
V₂	V2R	Human	Vasopressin and oxytocin	A	pKi	8.12	8.96	9.24	ChEMBL

Showing 1 to 3 of 3 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

OT	OXYR	Human	Vasopressin and oxytocin	A	pIC50	6.96	6.96	6.96	ChEMBL
OT	OXYR	Human	Vasopressin and oxytocin	A	pEC50	7.20	7.20	7.20	ChEMBL
V_1A	V1AR	Human	Vasopressin and oxytocin	A	pEC50	7.85	7.85	7.85	ChEMBL
V_1A	V1AR	Human	Vasopressin and oxytocin	A	pIC50	8.56	8.56	8.56	ChEMBL
V₂	V2R	Human	Vasopressin and oxytocin	A	pEC50	8.12	8.12	8.12	ChEMBL
V₂	V2R	Human	Vasopressin and oxytocin	A	pIC50	9.24	9.24	9.24	ChEMBL

Showing 1 to 6 of 6 entries

CHEMBL603708

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

ChEMBL_compound_ids PubChem GPCRdb

Compound is not listed as a drug.