GPCRdb

CHEMBL594828

Agent/drug
Bioactivity

CHEMBL594828

SMILES	COCc1nnc(N2CC(Oc3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1
InChIKey	HNIFCPBQMKPRCX-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	8
Hydrogen bond donors	0
Rotatable bonds	7
Molecular weight (Da)	419.1

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

κ	OPRK	Human	Opioid	A	pKi	5.52	5.52	5.52	ChEMBL
ghrelin	GHSR	Human	Ghrelin	A	pKi	5.36	5.36	5.36	ChEMBL
NK₁	NK1R	Human	Tachykinin	A	pKi	5.19	5.19	5.19	ChEMBL
OT	OXYR	Human	Vasopressin and oxytocin	A	pKi	8.02	8.02	8.02	ChEMBL
V_1A	V1AR	Human	Vasopressin and oxytocin	A	pKi	5.95	5.95	5.95	ChEMBL

Showing 1 to 5 of 5 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

OT	OXYR	Human	Vasopressin and oxytocin	A	pIC50	6.22	7.02	7.63	ChEMBL
V₂	V2R	Human	Vasopressin and oxytocin	A	pIC50	5.58	5.70	5.82	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL594828

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.