GPCRdb

CHEMBL1457510

Agent/drug
Bioactivity

CHEMBL1457510

SMILES	COc1c(O)ccc2c1CN1CCc3cc4c(cc3[C@@H]1C2)OCO4
InChIKey	TUTLRKKYUXPDGN-HNNXBMFYSA-N

Chemical Properties

Hydrogen bond acceptors	5
Hydrogen bond donors	1
Rotatable bonds	1
Molecular weight (Da)	325.1

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	6.04	6.04	6.04	ChEMBL
D₁	DRD1	Human	Dopamine	A	pKi	8.19	8.20	8.20	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	6.84	7.07	7.31	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	7.08	7.08	7.08	ChEMBL
D₄	DRD4	Human	Dopamine	A	pKi	5.70	5.70	5.70	ChEMBL
D₅	DRD5	Human	Dopamine	A	pKi	7.82	7.82	7.82	ChEMBL

Showing 1 to 6 of 6 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pEC50	4.87	4.87	4.87	ChEMBL
D₁	DRD1	Human	Dopamine	A	pIC50	4.76	4.76	4.76	ChEMBL
D₁	DRD1	Human	Dopamine	A	pEC50	4.80	4.80	4.80	ChEMBL
D₂	DRD2	Human	Dopamine	A	pIC50	6.00	6.00	6.00	ChEMBL

Showing 1 to 4 of 4 entries

CHEMBL1457510

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.