CHEMBL4445645


SMILES C[C@@H]1CN(c2ncc(Cl)c(Nc3ccc4c(c3)n(CCC(C)(C)O)c(=O)n4C)n2)C[C@H](C)C1(F)F
InChIKey VFNPUAOAEFMXQI-GASCZTMLSA-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-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 5.21 5.21 5.21 ChEMBL
β3 ADRB3 Human Adrenoceptors A pKi 5.4 5.41 5.41 ChEMBL
H3 HRH3 Human Histamine A pKi 5.63 5.66 5.69 ChEMBL
A1 AA1R Human Adenosine A pKi 5.79 5.88 5.96 ChEMBL
μ OPRM Human Opioid A pKi 6.06 6.06 6.07 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database