NAV

Giripladib

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

Identification

Generic Name
Giripladib
DrugBank Accession Number
DB15426
Background

Giripladib is under investigation in clinical trial NCT00396955 (A Study Comparing 4 Dose Regimens of PLA-695, Naproxen, and Placebo In Subjects With Osteoarthritis Of The Knee).

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 745.25
Monoisotopic: 744.203641
Chemical Formula
C41H36ClF3N2O4S
Synonyms
  • Giripladib
External IDs
  • PLA-695
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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

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
1W10Q5H7WD
CAS number
865200-20-0
InChI Key
NHHBNHIPCSPSHQ-UHFFFAOYSA-N
InChI
InChI=1S/C41H36ClF3N2O4S/c42-33-22-23-37-35(26-33)34(16-9-10-28-18-20-31(21-19-28)40(48)49)38(47(37)39(29-11-3-1-4-12-29)30-13-5-2-6-14-30)24-25-46-52(50,51)27-32-15-7-8-17-36(32)41(43,44)45/h1-8,11-15,17-23,26,39,46H,9-10,16,24-25,27H2,(H,48,49)
IUPAC Name
4-{3-[5-chloro-1-(diphenylmethyl)-2-(2-{[2-(trifluoromethyl)phenyl]methanesulfonamido}ethyl)-1H-indol-3-yl]propyl}benzoic acid
SMILES
OC(=O)C1=CC=C(CCCC2=C(CCNS(=O)(=O)CC3=C(C=CC=C3)C(F)(F)F)N(C(C3=CC=CC=C3)C3=CC=CC=C3)C3=C2C=C(Cl)C=C3)C=C1

References

General References
Not Available
ChemSpider
9896558
ChEMBL
CHEMBL2104969
ZINC
ZINC000085537113

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2TerminatedTreatmentOsteoarthritis (OA)1
1CompletedTreatmentHealthy Volunteers (HV)1
1CompletedTreatmentRheumatoid Arthritis1

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 Solubility2.49e-05 mg/mLALOGPS
logP7.35ALOGPS
logP10.22Chemaxon
logS-7.5ALOGPS
pKa (Strongest Acidic)4.24Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area88.4 Å2Chemaxon
Rotatable Bond Count14Chemaxon
Refractivity198.91 m3·mol-1Chemaxon
Polarizability76.7 Å3Chemaxon
Number of Rings6Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
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/MSsplash10-004j-0000010900-632020543d07893f97b3
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-0000000900-431edd25136d5264d8e5
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-056u-0000410900-8e9b78db362bebc6ed71
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0035-3000309600-44960d3d93b23604a663
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00kf-7903602200-2c8be8c43aac97593ef4
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-8980024200-f95acfe4f44f0b756276
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 15:29 / Updated at February 21, 2021 18:55