GPCRdb

CHEMBL3597953

Agent/drug
Bioactivity

CHEMBL3597953

SMILES	Cc1nc(C(=O)N2CCCC[C@H]2CCOc2ccc(F)cc2)c(-c2ccccc2)s1
InChIKey	VDPZWYVAUUMDAS-FQEVSTJZSA-N

Chemical Properties

Hydrogen bond acceptors	4
Hydrogen bond donors	0
Rotatable bonds	6
Molecular weight (Da)	424.2

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

OX₁	OX1R	Human	Orexin	A	pKi	10.22	10.22	10.22	ChEMBL
OX₂	OX2R	Human	Orexin	A	pKi	9.00	9.00	9.00	ChEMBL

Showing 1 to 2 of 2 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

OX₁	OX1R	Human	Orexin	A	pIC50	7.92	7.92	7.92	ChEMBL
OX₂	OX2R	Human	Orexin	A	pIC50	7.85	7.85	7.85	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL3597953

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.