CHEMBL1170025


SMILES CC(C)C[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)O
InChIKey CYLQZMDPLMYAJE-WUXWQJPASA-N

Chemical properties

Hydrogen bond acceptors 22
Hydrogen bond donors 21
Rotatable bonds 50
Molecular weight (Da) 1657.9

Drug properties

Molecular type Protein
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
C3a C3AR Human Complement peptide A pEC50 5.75 5.78 5.8 ChEMBL
C3a C3AR Human Complement peptide A pIC50 6.6 6.6 6.6 ChEMBL
C5a1 C5AR1 Human Complement peptide A pIC50 6.25 6.28 6.3 ChEMBL