CHEMBL3780776


SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCN([C@@H]2CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C[C@@H]2c2ccccc2)CC1
InChIKey WCJDWNUHDMSTQS-QEHHYHKYSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 9
Rotatable bonds 22
Molecular weight (Da) 1107.5

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 9.0 9.0 9.0 ChEMBL
μ OPRM Rat Opioid A pKi 8.0 8.0 8.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 6.42 6.42 6.42 ChEMBL