GPCRdb

CHEMBL2057442

Agent/drug
Bioactivity

CHEMBL2057442

SMILES	COc1cc2c(cc1OC)[C@@H]1Cc3c(CO)c(OC)cc(OC)c3CN1CC2
InChIKey	FDMHBTAXJFCYLV-SFHVURJKSA-N

Chemical Properties

Hydrogen bond acceptors	6
Hydrogen bond donors	1
Rotatable bonds	5
Molecular weight (Da)	385.2

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	6.14	6.14	6.14	ChEMBL
D₁	DRD1	Human	Dopamine	A	pKi	7.19	7.19	7.19	ChEMBL

Showing 1 to 2 of 2 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

D₁	DRD1	Human	Dopamine	A	pIC50	6.94	6.94	6.94	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL2057442

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.