CHEMBL4072602


SMILES CCc1ccn2ccnc2c1N1CCCN(CC2CCN(C(=O)[C@H]3C[C@@H]4CC[C@H]3O4)CC2)CC1
InChIKey ZUCRVTBTGIZZTG-KMDXXIMOSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 5
Molecular weight (Da) 465.3

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 7.29 7.29 7.29 ChEMBL
ACKR3 ACKR3 Human Chemokine A pKi 7.3 7.55 7.9 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
ACKR3 ACKR3 Human Chemokine A pEC50 8.15 8.15 8.15 ChEMBL