CHEMBL3810104


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](Cc2c(C)cc(O)cc2C)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 COJQNEGKUPBZCD-QEOWSWPTSA-N

Chemical properties

Hydrogen bond acceptors 18
Hydrogen bond donors 26
Rotatable bonds 43
Molecular weight (Da) 1602.9

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
NOP OPRX Human Opioid A pKd 6.25 6.25 6.25 ChEMBL
NOP OPRX Human Opioid A pKi 7.42 7.42 7.42 ChEMBL
δ OPRD Human Opioid A pKi 6.93 6.93 6.93 ChEMBL
κ OPRK Human Opioid A pKi 7.66 7.66 7.66 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 7.9 7.9 7.9 ChEMBL