GPCRdb

CHEMBL12152

Agent/drug
Bioactivity

CHEMBL12152

SMILES	O=C1CC2(CCCC2)CC(=O)N1CCCCNCC1COc2ccccc2O1
InChIKey	HCVRCHQFYYZPHT-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	5
Hydrogen bond donors	1
Rotatable bonds	7
Molecular weight (Da)	386.2

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_1B	5HT1B	Rat	5-Hydroxytryptamine	A	pKi	6.37	6.37	6.37	PDSP Ki database
5-HT_1D	F1MMU1	Bovine	5-Hydroxytryptamine	A	pKi	6.40	6.40	6.40	PDSP Ki database
5-HT_2C	K7GSR7	Pig	5-Hydroxytryptamine	A	pKi	6.30	6.30	6.30	PDSP Ki database

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	9.10	9.10	9.10	ChEMBL
5-HT_1B	5HT1B	Rat	5-Hydroxytryptamine	A	pIC50	6.20	6.20	6.20	ChEMBL
D₂	DRD2	Rat	Dopamine	A	pIC50	6.80	6.80	6.80	ChEMBL

Showing 1 to 3 of 3 entries

CHEMBL12152

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.