GPCRdb

CHEMBL4636305

Agent/drug
Bioactivity

CHEMBL4636305

SMILES	Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(F)cc5F)cc4C[C@@]4(OCCCc5ccccc5)[C@@H](C2)N(CC2CC2)CC[C@]314
InChIKey	KZQJKMAPRMFNGT-RJKGWOMYSA-N

Chemical Properties

Hydrogen bond acceptors	5
Hydrogen bond donors	1
Rotatable bonds	8
Molecular weight (Da)	606.3

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

δ	OPRD	Human	Opioid	A	pKi	7.27	7.27	7.27	ChEMBL
κ	OPRK	Human	Opioid	A	pKi	7.45	7.45	7.45	ChEMBL
μ	OPRM	Human	Opioid	A	pKi	6.77	6.77	6.77	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	pIC50	8.49	8.49	8.49	ChEMBL
μ	OPRM	Human	Opioid	A	pEC50	6.89	6.89	6.89	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL4636305

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.