GPCRdb

CHEMBL3946995

Agent/drug
Bioactivity

CHEMBL3946995

SMILES	O=C(N[C@H]1CC[C@H](CCN2CCN(c3nsc4ccccc34)CC2)CC1)c1ccco1
InChIKey	AAELEHAFAYIZRH-WGSAOQKQSA-N

Chemical Properties

Hydrogen bond acceptors	6
Hydrogen bond donors	1
Rotatable bonds	6
Molecular weight (Da)	438.2

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	8.89	8.89	8.89	ChEMBL
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pKi	9.64	9.64	9.64	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	8.54	8.54	8.54	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	9.89	9.89	9.89	ChEMBL

Showing 1 to 4 of 4 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pIC50	7.34	7.34	7.34	ChEMBL
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pIC50	7.50	7.50	7.50	ChEMBL
D₂	DRD2	Human	Dopamine	A	pIC50	7.21	7.21	7.21	ChEMBL
D₃	DRD3	Human	Dopamine	A	pIC50	8.86	8.86	8.86	ChEMBL

Showing 1 to 4 of 4 entries

CHEMBL3946995

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.