ACT-777991


SMILES CC1=NN(C=N1)CC(=O)N2CCN(C[C@H]2CCO)C3=C(N=C(S3)C(F)(F)F)C4=CN=C(N=C4)C(F)(F)F
InChIKey FDZFVXKCJKOSRC-CYBMUJFWSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 550.1

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
CXCR3 CXCR3 Human Chemokine A pKd 8.34 8.34 8.34 Guide to Pharmacology
CXCR3 CXCR3 Human Chemokine A pKd 8.34 8.34 8.34 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CXCR3 CXCR3 Human Chemokine A pIC50 8.48 8.48 8.48 Guide to Pharmacology
CXCR3 CXCR3 Mouse Chemokine A pIC50 6.79 7.99 8.82 ChEMBL
CXCR3 CXCR3 Human Chemokine A pIC50 7.25 7.95 8.49 ChEMBL
CXCR3 CXCR3 Dog Chemokine A pIC50 8.4 8.48 8.55 ChEMBL
CXCR3 CXCR3 Rat Chemokine A pIC50 6.54 7.6 8.66 ChEMBL