GPCRdb

CHEMBL4098236

Agent/drug
Bioactivity

CHEMBL4098236

SMILES	COc1ccccc1N1CCN(CCCCOc2ccn3ncc(C=O)c3c2)CC1
InChIKey	NXGXODYDGLKSAM-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	7
Hydrogen bond donors	0
Rotatable bonds	9
Molecular weight (Da)	408.2

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	6.46	6.46	6.46	ChEMBL
D₁	DRD1	Human	Dopamine	A	pKi	6.37	6.37	6.37	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	8.64	8.69	8.74	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	7.92	7.92	7.92	ChEMBL
D₄	DRD4	Human	Dopamine	A	pKi	8.15	8.15	8.15	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	7.76	7.78	7.80	ChEMBL
D₃	DRD3	Human	Dopamine	A	pEC50	8.11	8.11	8.11	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL4098236

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.