ILACIRNON

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UKNOWN
UNII: 380F68J5PH

Structure
InChI Key LUUMLYXKTPBTQR-UHFFFAOYSA-N
Smile 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

Action Mechanism of Action Reference
ANTAGONIST C-C chemokine receptor type 2 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
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Indications

Mesh Heading Maximum Phase Mesh ID Reference
Diabetes Mellitus, Type 2 2 D003924 ClinicalTrials
Diabetic Nephropathies 2 D003928 ClinicalTrials
Glomerulosclerosis, Focal Segmental 2 D005923 ClinicalTrials

Cross References

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