CHEMBL3616881


SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C(C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)CC2CCCCC21
InChIKey PSFLEBIVFDMOMW-IFIDKLSVSA-N

Chemical properties

Hydrogen bond acceptors 22
Hydrogen bond donors 23
Rotatable bonds 42
Molecular weight (Da) 1741.9

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
μ OPRM Rat Opioid A pKi 8.0 8.0 8.0 ChEMBL
δ OPRD Human Opioid A pKi 5.77 5.77 5.77 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Rat Opioid A pIC50 7.64 7.64 7.64 ChEMBL
δ OPRD Human Opioid A pIC50 5.38 5.38 5.38 ChEMBL
B2 BKRB2 Guinea pig Bradykinin A pIC50 8.77 8.77 8.77 ChEMBL