CHEMBL3408519


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)N(C)Cc2ccccc2)C1=O
InChIKey JREBGRHWCUPUKA-DSPMFFIESA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 7
Rotatable bonds 15
Molecular weight (Da) 698.4

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 pKd 6.44 6.44 6.44 ChEMBL
NK1 NK1R Human Tachykinin A pKi 7.89 7.99 8.19 ChEMBL
μ OPRM Rat Opioid A pKi 10.1 10.1 10.1 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 8.67 8.67 8.67 ChEMBL