CHEMBL4299476


SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey NGTSXDWOKUNRLY-OLBHHIGCSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 9
Rotatable bonds 22
Molecular weight (Da) 1183.4

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
NK1 NK1R Rat Tachykinin A pKi 7.33 7.33 7.33 ChEMBL
NK1 NK1R Human Tachykinin A pKi 8.6 8.6 8.6 ChEMBL
δ OPRD Human Opioid A pKi 7.85 7.85 7.85 ChEMBL
μ OPRM Human Opioid A pKi 8.4 8.4 8.4 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 7.37 7.37 7.37 ChEMBL
δ OPRD Human Opioid A pIC50 7.71 7.71 7.71 ChEMBL
μ OPRM Human Opioid A pIC50 7.96 7.96 7.96 ChEMBL