GPCRdb

CHEMBL140406

Agent/drug
Bioactivity

CHEMBL140406

SMILES	COc1cccc2c1CCC/C2=C\CCN1CCN(c2ccccn2)CC1
InChIKey	MEJDASWPPCVZOR-UFWORHAWSA-N

Chemical Properties

Hydrogen bond acceptors	4
Hydrogen bond donors	0
Rotatable bonds	5
Molecular weight (Da)	363.2

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	Rat	5-Hydroxytryptamine	A	pKi	9.51	9.51	9.51	ChEMBL
5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pKi	9.51	9.51	9.51	ChEMBL
D₂	DRD2	Rat	Dopamine	A	pKi	6.90	6.90	6.90	ChEMBL

Showing 1 to 3 of 3 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

5-HT_1A	5HT1A	Rat	5-Hydroxytryptamine	A	pIC50	9.46	9.46	9.46	ChEMBL
5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pEC50	5.47	7.00	8.53	ChEMBL
D₂	DRD2	Rat	Dopamine	A	pIC50	6.82	6.82	6.82	ChEMBL

Showing 1 to 3 of 3 entries

CHEMBL140406

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.