CHEMBL2371928


SMILES CC(C)CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)NC(=O)N1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O
InChIKey HXKFHHNEFCZKPG-VEKZNEBUSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 9
Rotatable bonds 24
Molecular weight (Da) 954.5

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
NK2 NK2R Human Tachykinin A pIC50 6.15 6.15 6.15 ChEMBL
C5a1 C5AR1 Human Complement peptide A pIC50 6.96 7.25 7.41 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pIC50 6.13 6.13 6.13 ChEMBL
MC4 MC4R Human Melanocortin A pIC50 4.89 4.89 4.89 ChEMBL