CHEMBL4093348


SMILES CN1C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H]1Cc1cccc2ccccc12
InChIKey KNNZNIYGBLJIFV-GDLMWWPGSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 9
Rotatable bonds 14
Molecular weight (Da) 898.4

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
ACKR3 ACKR3 Human Chemokine A pEC50 5.2 6.04 6.96 ChEMBL
ACKR3 ACKR3 Human Chemokine A pIC50 6.77 6.77 6.77 ChEMBL
CXCR4 CXCR4 Human Chemokine A pIC50 4.77 4.77 4.77 ChEMBL