CHEMBL4777443


SMILES CC(C)(C)OC(=O)N1CCCC1CN[C@H]1CC[C@@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIKey TTWGDSSADVBNQY-LMGRWQENSA-N

Chemical properties

Hydrogen bond acceptors None
Hydrogen bond donors None
Rotatable bonds None
Molecular weight (Da)

Drug properties

Molecular type Na
Endogenous/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 6.02 6.02 6.02 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 6.63 6.63 6.63 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.06 6.06 6.06 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.18 6.18 6.18 ChEMBL
H2 HRH2 Human Histamine A pKi 5.42 5.42 5.42 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 6.08 6.08 6.08 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.62 6.62 6.62 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.68 7.68 7.68 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.29 6.29 6.29 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 5.56 5.56 5.56 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.32 6.32 6.32 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.15 6.15 6.15 ChEMBL
κ OPRK Human Opioid A pKi 5.48 5.48 5.48 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.91 5.91 5.91 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database