CHEMBL309106


SMILES CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(N(C)C)cc2)C3=O)CC1
InChIKey LQTJOPPTSIYEES-SANMLTNESA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 10
Molecular weight (Da) 585.3

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
α2B ADA2B Rat Adrenoceptors A pKi 6.77 6.77 6.77 ChEMBL
H1 HRH1 Guinea pig Histamine A pKi 7.42 7.42 7.42 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 7.28 7.28 7.28 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 8.0 8.0 8.0 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.21 7.21 7.21 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.82 7.82 7.82 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.6 7.62 7.64 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 9.48 9.48 9.48 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database