CHEMBL3781519


SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N2CCN([C@@H]3CCN(C(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)C[C@@H]3c3ccccc3)CC2)C1=O
InChIKey IYYPPYLIGSSILC-RQCIJDPDSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 7
Rotatable bonds 16
Molecular weight (Da) 1062.5

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK1 NK1R Human Tachykinin A pKi 8.09 8.47 8.85 ChEMBL
μ OPRM Rat Opioid A pKi 8.93 8.93 8.93 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 7.85 7.85 7.85 ChEMBL