CHEMBL3616879


SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)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 OMESVDBNRCNVHD-SWDQWLEJSA-N

Chemical properties

Hydrogen bond acceptors 23
Hydrogen bond donors 23
Rotatable bonds 45
Molecular weight (Da) 1815.9

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
B2 BKRB2 Rat Bradykinin A pKi 5.28 5.28 5.28 ChEMBL
μ OPRM Rat Opioid A pKi 7.16 7.16 7.16 ChEMBL
δ OPRD Human Opioid A pKi 5.16 5.16 5.16 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
B2 BKRB2 Guinea pig Bradykinin A pIC50 8.74 8.74 8.74 ChEMBL
μ OPRM Rat Opioid A pIC50 6.81 6.81 6.81 ChEMBL
δ OPRD Human Opioid A pIC50 4.77 4.77 4.77 ChEMBL