GPCRdb

CHEMBL512411

Agent/drug
Bioactivity

CHEMBL512411

SMILES	Cc1ccc(C(c2ccccc2Cl)N2C3CCC2CC(O)(c2ccncn2)C3)c(Cl)c1
InChIKey	JKCGUKCHGQOSKC-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	4
Hydrogen bond donors	1
Rotatable bonds	4
Molecular weight (Da)	453.1

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

μ	OPRM	Human	Opioid	A	pKi	6.27	6.27	6.27	ChEMBL
NOP	OPRX	Human	Opioid	A	pKi	8.28	8.28	8.28	ChEMBL

Showing 1 to 2 of 2 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

μ	OPRM	Human	Opioid	A	pEC50	5.77	5.77	5.77	ChEMBL
NOP	OPRX	Human	Opioid	A	pEC50	7.30	7.30	7.30	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL512411

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.