GPCRdb

CHEMBL4778700

Agent/drug
Bioactivity

CHEMBL4778700

SMILES	Clc1ccc2c(c1)CCc1nnc(C3CCN(c4ccccn4)CC3)n1-2
InChIKey	UEESSQLTYXCSHX-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	5
Hydrogen bond donors	0
Rotatable bonds	2
Molecular weight (Da)	365.1

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

V_1A	V1AR	Human	Vasopressin and oxytocin	A	pKi	7.15	7.15	7.15	ChEMBL

Showing 1 to 1 of 1 entry

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

V_1A	V1AR	Human	Vasopressin and oxytocin	A	pIC50	5.85	5.85	5.85	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL4778700

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.