GPCRdb

CHEMBL4105599

Agent/drug
Bioactivity

CHEMBL4105599

SMILES	Cc1ccc(C(=O)NCC2NCCc3ccccc32)cc1C
InChIKey	VWJLMWIMGWFRII-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	2
Hydrogen bond donors	2
Rotatable bonds	3
Molecular weight (Da)	294.2

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

μ	OPRM	Human	Opioid	A	pKi	7.44	7.44	7.44	ChEMBL

Showing 1 to 1 of 1 entry

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

κ	OPRK	Human	Opioid	A	pIC50	5.05	5.05	5.05	ChEMBL
μ	OPRM	Human	Opioid	A	pIC50	6.54	6.54	6.54	ChEMBL
μ	OPRM	Human	Opioid	A	pEC50	6.92	6.92	6.92	ChEMBL

Showing 1 to 3 of 3 entries

CHEMBL4105599

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.