GPCRdb

CHEMBL1254117

Agent/drug
Bioactivity

CHEMBL1254117

SMILES	CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(C)cc2)cc1
InChIKey	IMTZHKQCVJWSGI-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	6
Hydrogen bond donors	2
Rotatable bonds	8
Molecular weight (Da)	492.1

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	Rat	Vasopressin and oxytocin	A	pKi	7.60	8.38	9.17	ChEMBL
OT	OXYR	Human	Vasopressin and oxytocin	A	pKi	7.85	7.85	7.85	ChEMBL
V_1A	V1AR	Human	Vasopressin and oxytocin	A	pKi	5.85	5.85	5.85	ChEMBL
V₂	V2R	Human	Vasopressin and oxytocin	A	pKi	5.60	5.60	5.60	ChEMBL

Showing 1 to 4 of 4 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

OT	OXYR	Human	Vasopressin and oxytocin	A	pIC50	7.52	7.52	7.52	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL1254117

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.