GPCRdb

CHEMBL4060461

Agent/drug
Bioactivity

CHEMBL4060461

SMILES	COc1ccccc1N1CCN(CCCCOc2ccn3ncc(/C=N/O)c3c2)CC1
InChIKey	BZCYPHOOPXOADD-XIEYBQDHSA-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	7.00	7.02	7.04	ChEMBL
D₁	DRD1	Human	Dopamine	A	pKi	6.07	6.11	6.15	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	8.92	9.47	10.03	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	8.35	8.41	8.48	ChEMBL
D₄	DRD4	Human	Dopamine	A	pKi	8.82	8.98	9.14	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	6.56	8.14	9.13	ChEMBL
D₃	DRD3	Human	Dopamine	A	pEC50	7.39	7.57	7.75	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL4060461

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.