CHEMBL3408730


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)NCc2ccccc2)C1=O
InChIKey UCCJAMQRFDRLBW-YPKYBTACSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 8
Rotatable bonds 14
Molecular weight (Da) 670.4

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 5.21 5.21 5.21 ChEMBL
μ OPRM Rat Opioid A pKi 9.85 9.85 9.85 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 8.46 8.46 8.46 ChEMBL