CHEMBL4084050


SMILES CCc1ccn2ccnc2c1N1CCCN([C@@H](CC(N)=O)C2CCN(C(=O)[C@H]3C[C@@H]4CC[C@H]3O4)CC2)CC1
InChIKey CERHKHQEGFSIHF-OJJQZRKESA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 522.3

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
ACKR3 ACKR3 Mouse Chemokine A pKi 7.75 7.75 7.75 ChEMBL
ACKR3 ACKR3 Human Chemokine A pKi 7.89 7.89 7.9 ChEMBL
CXCR4 CXCR4 Human Chemokine A pKi 4.96 4.96 4.96 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
ACKR3 ACKR3 Human Chemokine A pEC50 7.96 7.96 7.96 ChEMBL