ILACIRNON

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII 380F68J5PH

Structure

InChI Key LUUMLYXKTPBTQR-UHFFFAOYSA-N
Smiles Cc1cnc(C(=O)c2ncnc3[nH]ccc23)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1
InChI
InChI=1S/C20H13ClF3N5O3S/c1-10-6-15(29-33(31,32)11-2-3-14(21)13(7-11)20(22,23)24)17(26-8-10)18(30)16-12-4-5-25-19(12)28-9-27-16/h2-9,29H,1H3,(H,25,27,28)

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H13ClF3N5O3S
Molecular Weight 495.87
AlogP 4.37
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 117.7
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 33.0

Pharmacology

Mechanism of Action Action Reference
C-C chemokine receptor type 2 antagonist ANTAGONIST PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Chemokine receptor CC chemokine receptor
- 5 - - -

Target Conservation

Protein: C-C chemokine receptor type 2
Description: C-C chemokine receptor type 2
Organism : Homo sapiens
P41597 ENSG00000121807

Cross References

Resources Reference
ChEMBL CHEMBL2178573
DrugBank DB16066
FDA SRS 380F68J5PH
Guide to Pharmacology 11185
SureChEMBL SCHEMBL127113
ZINC ZINC000043204193
CONTENTS