CHEMBL436283


SMILES N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O
InChIKey MBXBICVKLVYNKD-XFTNXAEASA-N

Chemical properties

Hydrogen bond acceptors None
Hydrogen bond donors None
Rotatable bonds None
Molecular weight (Da)

Drug properties

Molecular type Protein
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations CXCR4

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
ACKR3 ACKR3 Human Chemokine A pEC50 5.62 5.66 5.7 ChEMBL
CXCR4 CXCR4 Human Chemokine A pIC50 5.92 7.31 8.4 ChEMBL
CXCR4 CXCR4 Human Chemokine A pEC50 6.33 6.33 6.33 ChEMBL