CHEMBL2413154


SMILES COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
InChIKey MEKSQRMXWZHFIP-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-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 7.05 7.05 7.05 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 6.19 6.19 6.19 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.62 6.62 6.62 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 7.82 7.82 7.82 ChEMBL
H2 HRH2 Human Histamine A pKi 5.67 5.67 5.67 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 7.89 7.89 7.89 ChEMBL
H1 HRH1 Human Histamine A pKi 5.99 5.99 5.99 ChEMBL
D4 DRD4 Human Dopamine A pKi 7.68 7.68 7.68 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.17 8.17 8.17 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 7.02 7.02 7.02 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.13 7.13 7.13 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 9.82 9.82 9.82 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.3 5.3 5.3 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pEC50 10.0 10.0 10.0 ChEMBL