GPCRdb

CHEMBL242004

Agent/drug
Bioactivity

CHEMBL242004

SMILES	Cc1ccc(NC(=O)C(C)C)cc1C1CCN(Cc2ccc(Oc3ccc(F)c(F)c3)cc2)CC1
InChIKey	VMLZFUVIKCGATC-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	3
Hydrogen bond donors	1
Rotatable bonds	7
Molecular weight (Da)	478.2

Database connections

ChEMBL_compound_ids PubChem GPCRdb
Structure pdb	8YNS 8YNT

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

α_1A	ADA1A	Human	Adrenoceptors	A	pKi	6.75	6.75	6.75	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	5.13	5.13	5.13	ChEMBL
MCH₁	MCHR1	Rat	Melanin-concentrating hormone	A	pKi	8.66	8.66	8.66	ChEMBL

Showing 1 to 3 of 3 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

MCH₁	MCHR1	Rat	Melanin-concentrating hormone	A	pIC50	6.64	6.64	6.64	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL242004

Drug properties

Molecular type	Small molecule
Physiological/Surrogate	Surrogate
Approved drug	No

Clinical Trials

Phase I 0

Phase II 0

Phase III 0

Approved No

Database connections

ChEMBL_compound_ids PubChem GPCRdb
Structure pdb	8YNS 8YNT

Compound is not listed as a drug.