anatibant


SMILES Cc1cc(C)c2c(n1)c(ccc2)OCc1c(Cl)ccc(c1Cl)S(=O)(=O)N1CCC[C@H]1C(=O)NCCCNC(=O)c1ccc(cc1)C(=N)N
InChIKey XUHBBTKJWIBQMY-MHZLTWQESA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 12
Molecular weight (Da) 710.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pKi 8.15 8.15 8.15 Guide to Pharmacology
μ OPRM Rat Opioid A pKi 7.2 7.2 7.2 Guide to Pharmacology
δ OPRD Human Opioid A pKi 8.15 8.32 8.52 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 7.52 7.52 7.52 ChEMBL
μ OPRM Human Opioid A pEC50 5.58 5.58 5.58 ChEMBL