GPCRdb

CHEMBL431074

Agent/drug
Bioactivity

CHEMBL431074

SMILES	Cc1ncc2c(n1)C1Oc3c(O)ccc4c3C13CCN(C)C(C4)C3(O)C2
InChIKey	OCIKRCLBDNYUFW-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	6
Hydrogen bond donors	2
Rotatable bonds	0
Molecular weight (Da)	351.2

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

δ	OPRD	Human	Opioid	A	pKi	7.62	7.62	7.62	ChEMBL
κ	OPRK	Human	Opioid	A	pKi	7.16	7.16	7.16	ChEMBL
μ	OPRM	Human	Opioid	A	pKi	8.28	8.28	8.28	ChEMBL

Showing 1 to 3 of 3 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

δ	OPRD	Human	Opioid	A	pEC50	7.02	7.02	7.02	ChEMBL
κ	OPRK	Human	Opioid	A	pEC50	5.56	5.56	5.56	ChEMBL
μ	OPRM	Human	Opioid	A	pEC50	7.14	7.14	7.14	ChEMBL

Showing 1 to 3 of 3 entries

CHEMBL431074

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.