CHEMBL4782111


SMILES O=C(N[C@H]1CCN(CC2CC2)C[C@@H]1C(=O)NC1(c2ncccn2)CC1)c1cc(-c2ccc(F)cc2F)on1
InChIKey IIDSHAJKXPUYSL-FPOVZHCZSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 8
Molecular weight (Da) 522.2

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 Human Chemokine A pKi 9.28 9.28 9.28 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
ACKR3 ACKR3 Dog Chemokine A pIC50 8.64 8.64 8.64 ChEMBL
ACKR3 ACKR3 Rat Chemokine A pIC50 8.51 8.51 8.51 ChEMBL
ACKR3 ACKR3 Mouse Chemokine A pIC50 8.64 8.64 8.64 ChEMBL
ACKR3 ACKR3 Human Chemokine A pIC50 8.49 8.8 9.06 ChEMBL