CHEMBL1782141


SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O
InChIKey UXNDGPPTVKDIOD-QAXCHELISA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 7
Rotatable bonds 14
Molecular weight (Da) 820.4

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
κ OPRK Guinea pig Opioid A pKi 6.35 6.35 6.35 ChEMBL
μ OPRM Rat Opioid A pKi 9.38 9.38 9.38 ChEMBL
NK1 NK1R Human Tachykinin A pKi 8.11 9.0 9.3 ChEMBL
NK1 NK1R Human Tachykinin A pKd 7.8 7.8 7.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 7.36 7.36 7.36 ChEMBL