GPCRdb

CHEMBL4205046

Agent/drug
Bioactivity

CHEMBL4205046

SMILES	Cc1ccn(C(=O)Nc2ccc(C(=O)N3CCCCc4ccccc43)c(Cl)c2)n1
InChIKey	WLSCYTZXIQSDLZ-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	4
Hydrogen bond donors	1
Rotatable bonds	2
Molecular weight (Da)	408.1

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	6.49	6.49	6.49	ChEMBL
V_1A	V1AR	Human	Vasopressin and oxytocin	A	pKi	6.62	6.62	6.62	ChEMBL
V₂	V2R	Human	Vasopressin and oxytocin	A	pKi	7.42	7.42	7.42	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	7.43	7.43	7.43	ChEMBL
V_1A	V1AR	Human	Vasopressin and oxytocin	A	pIC50	7.72	7.72	7.72	ChEMBL
V₂	V2R	Human	Vasopressin and oxytocin	A	pEC50	8.40	8.40	8.40	ChEMBL
V₂	V2R	Human	Vasopressin and oxytocin	A	pIC50	7.89	7.89	7.89	ChEMBL

Showing 1 to 4 of 4 entries

CHEMBL4205046

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.