CHEMBL426317


SMILES COc1cccc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)c1
InChIKey PGGCRGAETLNAJC-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 7
Molecular weight (Da) 373.2

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
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 6.64 6.64 6.64 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 6.42 6.42 6.42 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.96 6.96 6.96 ChEMBL
H2 HRH2 Human Histamine A pKi 5.67 5.67 5.67 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 6.48 7.19 7.89 ChEMBL
H1 HRH1 Human Histamine A pKi 6.08 6.08 6.08 ChEMBL
D4 DRD4 Human Dopamine A pKi 7.66 7.66 7.66 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 6.38 7.28 8.17 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.6 6.6 6.6 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.47 7.47 7.47 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.68 5.68 5.68 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.96 9.39 9.82 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.59 5.59 5.59 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pEC50 9.52 9.52 9.52 ChEMBL