CHEMBL4293307


SMILES COc1ccc(N(CCCCN2CCC(O)(c3ccc(Cl)c(C(F)(F)F)c3)CC2)c2ccc(OC)cc2)cc1
InChIKey DYLSSJRMONSQGQ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 10
Molecular weight (Da) 562.2

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-HT5A 5HT5A Human 5-Hydroxytryptamine A pKi 5.3 5.3 5.3 ChEMBL
D5 DRD5 Human Dopamine A pKi 6.21 6.21 6.21 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 6.02 6.02 6.02 ChEMBL
H1 HRH1 Human Histamine A pKi 5.15 5.15 5.15 ChEMBL
D4 DRD4 Human Dopamine A pKi 6.34 6.34 6.34 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.0 5.0 5.0 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 5.85 5.85 5.85 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.14 6.14 6.14 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.13 6.13 6.13 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.36 6.36 6.36 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.05 6.05 6.05 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 ChEMBL
δ OPRD Human Opioid A pKi 5.0 5.0 5.0 ChEMBL
κ OPRK Human Opioid A pKi 5.0 5.0 5.0 ChEMBL
μ OPRM Human Opioid A pKi 5.08 5.08 5.08 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.38 6.38 6.38 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database