NAV

Modipafant

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

Identification

Generic Name
Modipafant
DrugBank Accession Number
DB16237
Background

Modipafant is under investigation in clinical trial NCT02569827 (Celgosivir or Modipafant as Treatment for Adult Participants With Uncomplicated Dengue Fever in Singapore).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 605.1
Monoisotopic: 604.1989665
Chemical Formula
C34H29ClN6O3
Synonyms
  • Modipafant
External IDs
  • UK-80067
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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
1DMI0E5023
CAS number
122957-06-6
InChI Key
ODRYSCQFUGFOSU-SSEXGKCCSA-N
InChI
InChI=1S/C34H29ClN6O3/c1-4-44-34(43)31-30(24-9-5-6-10-25(24)35)29(33(42)40-28-11-7-8-17-37-28)20(2)38-32(31)22-12-14-23(15-13-22)41-21(3)39-26-19-36-18-16-27(26)41/h5-19,30,38H,4H2,1-3H3,(H,37,40,42)/t30-/m1/s1
IUPAC Name
ethyl (4R)-4-(2-chlorophenyl)-6-methyl-2-(4-{2-methyl-1H-imidazo[4,5-c]pyridin-1-yl}phenyl)-5-[(pyridin-2-yl)carbamoyl]-1,4-dihydropyridine-3-carboxylate
SMILES
CCOC(=O)C1=C(NC(C)=C([C@H]1C1=CC=CC=C1Cl)C(=O)NC1=NC=CC=C1)C1=CC=C(C=C1)N1C(C)=NC2=C1C=CN=C2

References

General References
Not Available
ChemSpider
2310093
ChEMBL
CHEMBL2105829
ZINC
ZINC000028771591

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1, 2WithdrawnTreatmentDengue Fever1

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 Solubility0.00163 mg/mLALOGPS
logP5.83ALOGPS
logP4.71Chemaxon
logS-5.6ALOGPS
pKa (Strongest Acidic)12.04Chemaxon
pKa (Strongest Basic)4.83Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area111.03 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity182.11 m3·mol-1Chemaxon
Polarizability64.48 Å3Chemaxon
Number of Rings6Chemaxon
Bioavailability1Chemaxon
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/MSsplash10-0a4i-0000069000-286134c8968e2192119a
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-0000009000-ef537b8d020ae7faf1f0
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-0101569000-e87f623f7f615da9b231
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0fc9-2000292000-29dfe4c69f14dc5c7b6b
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0bu0-0710793000-7f013bc3a04b169ad716
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0f89-5502981000-6df633082437ac6dfc5d
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at December 15, 2020 18:16 / Updated at February 21, 2021 18:55