BMS compound 16 [PMID:23368907]


SMILES O=C(Nc1cccnc1Oc1ccccc1C(C)(C)C)Nc1ccc(cc1)OC(F)(F)F
InChIKey AHFLGPTXSIRAQK-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 445.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 4XNV

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Human Opioid A pKi 6.97 6.97 6.97 ChEMBL
NOP OPRX Human Opioid A pKi 8.6 8.6 8.6 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NOP OPRX Human Opioid A pIC50 8.12 8.12 8.12 ChEMBL