GPCRdb

CHEMBL127400

Agent/drug
Bioactivity

CHEMBL127400

SMILES	COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1
InChIKey	INDXRHKLECFZHX-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	5
Hydrogen bond donors	1
Rotatable bonds	8
Molecular weight (Da)	418.2

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

α_1A	ADA1A	Rat	Adrenoceptors	A	pKi	8.24	8.24	8.24	ChEMBL
α_2A	ADA2A	Rat	Adrenoceptors	A	pKi	7.12	7.12	7.12	ChEMBL
5-HT_1A	5HT1A	Rat	5-Hydroxytryptamine	A	pKi	8.51	8.51	8.51	ChEMBL
D₁	DRD1	Rat	Dopamine	A	pKi	5.83	5.83	5.83	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	7.56	7.56	7.56	ChEMBL
D₂	DRD2	Rat	Dopamine	A	pKi	7.12	7.12	7.12	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	8.83	8.83	8.83	ChEMBL
D₃	DRD3	Rat	Dopamine	A	pKi	9.31	9.31	9.31	ChEMBL

Showing 1 to 8 of 8 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

D₂	DRD2	Human	Dopamine	A	pEC50	8.60	8.60	8.60	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL127400

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.