GPCRdb

CHEMBL2079501

Agent/drug
Bioactivity

CHEMBL2079501

SMILES	CCOc1ccc(Cc2nc3cc(NC(=N)c4cccs4)ccc3n2CCN(C)C)cc1
InChIKey	OONWYAYSZPBRNE-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	6
Hydrogen bond donors	2
Rotatable bonds	9
Molecular weight (Da)	447.2

Database connections

ChEMBL_compound_ids 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	6.96	6.96	6.96	ChEMBL

Showing 1 to 1 of 1 entry

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

μ	OPRM	Human	Opioid	A	pEC50	5.82	5.82	5.82	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL2079501

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 ChEMBL_compound_ids PubChem GPCRdb

Compound is not listed as a drug.