GPCRdb

CHEMBL431041

Agent/drug
Bioactivity

CHEMBL431041

SMILES	CC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1
InChIKey	VCYDEUCPMLCHGS-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	3
Hydrogen bond donors	2
Rotatable bonds	2
Molecular weight (Da)	272.2

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pKi	6.21	6.21	6.21	ChEMBL
5-HT_1B	5HT1B	Human	5-Hydroxytryptamine	A	pKi	6.57	6.57	6.57	ChEMBL
5-HT_1D	5HT1D	Human	5-Hydroxytryptamine	A	pKi	6.60	6.60	6.60	ChEMBL
5-HT_1F	5HT1F	Human	5-Hydroxytryptamine	A	pKi	8.30	8.30	8.30	ChEMBL

Showing 1 to 4 of 4 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

5-HT_1F	5HT1F	Human	5-Hydroxytryptamine	A	pEC50	7.44	7.44	7.44	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL431041

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

Compound is not listed as a drug.