CHEMBL4066784


SMILES Cc1cccc(Cl)c1-c1nc(CN2CCC(C(=O)NCCCN3C[C@@H](C)C[C@@H](C)C3)CC2)c(C)o1
InChIKey SHKOYYABTMCHBH-BGYRXZFFSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 500.3

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
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 5.76 5.76 5.76 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.24 6.24 6.24 ChEMBL
H2 HRH2 Human Histamine A pKi 6.35 6.35 6.35 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 5.85 5.85 5.85 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.38 6.38 6.38 ChEMBL
κ OPRK Human Opioid A pKi 5.92 5.92 5.92 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database