CHEMBL4074560


SMILES Cn1cnc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)CN(CCCc3ccccc3)C(=O)[C@H]3CCCN3C2=O)c1
InChIKey LJAOCDVPHBKVRC-UFNCVGPKSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 6
Rotatable bonds 12
Molecular weight (Da) 942.5

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
ACKR3 ACKR3 Human Chemokine A pKi 6.39 6.39 6.4 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database