CHEMBL584554


SMILES CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C(=O)Nc2ccccc2)C1
InChIKey QIPWTYSOANVUKJ-WZONZLPQSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 428.2

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CXCR3 CXCR3 Rat Chemokine A pIC50 7.13 7.13 7.13 ChEMBL
CXCR3 CXCR3 Human Chemokine A pIC50 7.13 7.44 7.75 ChEMBL
α2C ADA2C Human Adrenoceptors A pIC50 6.67 6.67 6.67 ChEMBL
β1 ADRB1 Human Adrenoceptors A pIC50 5.24 5.24 5.24 ChEMBL
D4 DRD4 Human Dopamine A pIC50 5.58 5.58 5.58 ChEMBL
α2A ADA2A Human Adrenoceptors A pIC50 5.71 5.71 5.71 ChEMBL
D1 DRD1 Human Dopamine A pIC50 5.31 5.31 5.31 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pIC50 5.02 5.02 5.02 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pIC50 5.61 5.61 5.61 ChEMBL
D3 DRD3 Human Dopamine A pIC50 6.18 6.18 6.18 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 6.12 6.12 6.12 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pIC50 5.44 5.44 5.44 ChEMBL
D2 DRD2 Human Dopamine A pIC50 5.8 5.8 5.8 ChEMBL
CXCR3 CXCR3 Mouse Chemokine A pIC50 6.7 7.25 7.52 ChEMBL