GPCRdb

CHEMBL1180017

Agent/drug
Bioactivity

CHEMBL1180017

SMILES	COc1ccc(NC(=O)N2CCN(c3c(C)cccc3C)CC2)cc1N1CCN(C)CC1
InChIKey	MEOFAFSHVFKVBH-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	5
Hydrogen bond donors	1
Rotatable bonds	4
Molecular weight (Da)	437.3

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

5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pKi	6.41	6.41	6.41	ChEMBL
5-HT_1B	5HT1B	Human	5-Hydroxytryptamine	A	pKi	8.89	8.89	8.89	ChEMBL
5-HT_1D	5HT1D	Human	5-Hydroxytryptamine	A	pKi	7.43	7.43	7.43	ChEMBL

Showing 1 to 3 of 3 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

5-HT_1B	5HT1B	Human	5-Hydroxytryptamine	A	pEC50	8.00	8.00	8.00	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL1180017

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.