CHEMBL1940419


SMILES Fc1ccc(SCCCN2CCN(c3ccccn3)CC2)cc1
InChIKey IESJRUUOIHDONG-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 6
Molecular weight (Da) 331.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D4 DRD4 Rat Dopamine A pKi 8.24 8.24 8.24 ChEMBL
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 5.09 5.09 5.09 ChEMBL
D5 DRD5 Human Dopamine A pKi 5.49 5.49 5.49 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 7.35 7.35 7.35 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 6.54 6.54 6.54 ChEMBL
H1 HRH1 Human Histamine A pKi 6.67 6.67 6.67 ChEMBL
D1 DRD1 Human Dopamine A pKi 6.58 6.58 6.58 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.8 6.8 6.8 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 7.58 7.58 7.58 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.21 8.21 8.21 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.74 6.74 6.74 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database