CHEMBL3808398


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@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C1=O
InChIKey SWIPQMATHCKNQK-NUPJQHTASA-N

Chemical properties

Hydrogen bond acceptors 17
Hydrogen bond donors 25
Rotatable bonds 43
Molecular weight (Da) 1576.8

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
NOP OPRX Human Opioid A pKd 6.0 6.0 6.0 ChEMBL
NOP OPRX Human Opioid A pKi 7.57 7.57 7.57 ChEMBL
δ OPRD Human Opioid A pKi 6.71 6.71 6.71 ChEMBL
κ OPRK Human Opioid A pKi 7.08 7.08 7.08 ChEMBL
μ OPRM Human Opioid A pKi 7.82 7.82 7.82 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 8.85 8.85 8.85 ChEMBL