GPCRdb

CHEMBL4105030

Agent/drug
Bioactivity

CHEMBL4105030

SMILES	COc1ccccc1N1CCN(CCCCOc2ccn3nc(/C=N/O)cc3c2)CC1
InChIKey	WUKHFCSRRUQMMT-HKOYGPOVSA-N

Chemical Properties

Hydrogen bond acceptors	8
Hydrogen bond donors	1
Rotatable bonds	9
Molecular weight (Da)	423.2

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_2A	5HT2A	Human	5-Hydroxytryptamine	A	pKi	7.03	7.03	7.03	ChEMBL
D₁	DRD1	Human	Dopamine	A	pKi	6.36	6.36	6.36	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	8.48	8.60	8.72	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	8.49	8.49	8.49	ChEMBL
D₄	DRD4	Human	Dopamine	A	pKi	8.11	8.11	8.11	ChEMBL

Showing 1 to 5 of 5 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

D₂	DRD2	Human	Dopamine	A	pEC50	5.96	6.18	6.40	ChEMBL
D₃	DRD3	Human	Dopamine	A	pEC50	7.16	7.16	7.16	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL4105030

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.