NAV

Ilacirnon

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Ilacirnon
DrugBank Accession Number
DB16066
Background

Ilacirnon (CCX-140) is under investigation in clinical trial NCT01440257 (A Study to Evaluate the Effect of CCX140-B on Urinary Albumin Excretion in Subjects With Type 2 Diabetes and Albuminuria).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 495.86
Monoisotopic: 495.0379727
Chemical Formula
C20H13ClF3N5O3S
Synonyms
  • 4-Chloro-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylcarbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
External IDs
  • CCX-140
  • CCX140
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Ilacirnon sodiumX39CM70JTQ1100319-36-5Not applicable

Categories

Drug Categories
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
380F68J5PH
CAS number
1100318-47-5
InChI Key
LUUMLYXKTPBTQR-UHFFFAOYSA-N
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)
IUPAC Name
4-chloro-N-(5-methyl-2-{7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl}pyridin-3-yl)-3-(trifluoromethyl)benzene-1-sulfonamide
SMILES
CC1=CC(NS(=O)(=O)C2=CC=C(Cl)C(=C2)C(F)(F)F)=C(N=C1)C(=O)C1=C2C=CNC2=NC=N1

References

General References
Not Available
Human Metabolome Database
HMDB0249737
ChemSpider
28669931
BindingDB
50398343
ChEMBL
CHEMBL2178573
ZINC
ZINC000043204193

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentDiabetic Nephropathy / Type 2 Diabetes Mellitus2
2CompletedTreatmentFocal Segmental Glomerulosclerosis (FSGS) / FSGS / Glomerulosclerosis1
2CompletedTreatmentType 2 Diabetes Mellitus1
2TerminatedTreatmentFocal Segmental Glomerulosclerosis (FSGS)1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.00564 mg/mLALOGPS
logP3.61ALOGPS
logP4.01Chemaxon
logS-4.9ALOGPS
pKa (Strongest Acidic)6.61Chemaxon
pKa (Strongest Basic)2.19Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area117.7 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity114.09 m3·mol-1Chemaxon
Polarizability44.57 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-0010900000-90e16cbe895afc77b245
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-0000900000-455acbb1825692340461
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-1003900000-8dd897d66fdde12a811a
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-0010900000-69f14bd014842de81474
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-01bm-2190100000-83ba35e66c65bc7f15f4
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00lr-0900000000-84a4157a6dadc4647807
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at December 15, 2020 18:03 / Updated at April 07, 2023 13:17