CHEMBL4060078


SMILES CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(=O)O)CSSC1(C)C
InChIKey JMWDHIKOVPNSBX-JKRCYJHESA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 14
Rotatable bonds 18
Molecular weight (Da) 969.4

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CXCR4 CXCR4 Human Chemokine A pIC50 5.82 5.82 5.82 ChEMBL