GPCRdb

CHEMBL3763342

Agent/drug
Bioactivity

CHEMBL3763342

SMILES	Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1
InChIKey	HWPGRFRXZNLZEX-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	8
Hydrogen bond donors	4
Rotatable bonds	5
Molecular weight (Da)	581.3

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	Mouse	Vasopressin and oxytocin	A	pKi	7.29	7.29	7.29	ChEMBL
OT	OXYR	Human	Vasopressin and oxytocin	A	pKi	6.01	6.93	7.52	ChEMBL
V_1A	V1AR	Human	Vasopressin and oxytocin	A	pKi	6.95	7.39	7.90	ChEMBL

Showing 1 to 3 of 3 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

OT	OXYR	Mouse	Vasopressin and oxytocin	A	pEC50	7.11	7.33	7.54	ChEMBL
OT	OXYR	Human	Vasopressin and oxytocin	A	pEC50	6.05	6.95	8.52	ChEMBL
V_1A	V1AR	Human	Vasopressin and oxytocin	A	pIC50	6.21	6.86	8.15	ChEMBL
V₂	V2R	Human	Vasopressin and oxytocin	A	pEC50	5.64	5.64	5.64	ChEMBL

Showing 1 to 4 of 4 entries

CHEMBL3763342

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.