CHEMBL4074277


SMILES CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O
InChIKey SZGLMVYFBLRPOB-QFNGMZDJSA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 14
Rotatable bonds 19
Molecular weight (Da) 1014.4

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CXCR4 CXCR4 Human Chemokine A pIC50 5.43 5.43 5.43 ChEMBL