GPCRdb

PECAVAPTAN

Agent/drug
Bioactivity

PECAVAPTAN

SMILES	C[C@H](O)c1nc(Cn2nc(-c3ccc(Cl)cc3)n(C[C@H](O)C(F)(F)F)c2=O)nn1-c1cccc(Cl)c1
InChIKey	AZXOTZCWQDJCLY-SJCJKPOMSA-N

Chemical Properties

Hydrogen bond acceptors	9
Hydrogen bond donors	2
Rotatable bonds	7
Molecular weight (Da)	542.1

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	8.29	8.29	8.30	ChEMBL
V_1A	V1AR	Human	Vasopressin and oxytocin	A	pKi	8.88	9.09	9.30	ChEMBL
V₂	V2R	Human	Vasopressin and oxytocin	A	pKi	9.22	9.22	9.22	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	7.81	7.81	7.81	ChEMBL
V_1A	V1AR	Human	Vasopressin and oxytocin	A	pIC50	8.17	8.30	8.44	ChEMBL
V_1B	V1BR	Human	Vasopressin and oxytocin	A	pIC50	5.00	5.00	5.00	ChEMBL
V₂	V2R	Human	Vasopressin and oxytocin	A	pIC50	8.77	8.77	8.77	ChEMBL

Showing 1 to 4 of 4 entries

PECAVAPTAN

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.