NAV

JPC-3210

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

Identification

Generic Name
JPC-3210
DrugBank Accession Number
DB15609
Background

JPC-3210 is a potent antimalarial agent. It is an erythrocytic schizonticide with potent in vitro antimalarial activity against multidrug-resistant Plasmodium falciparum lines, low cytotoxicity, potent in vivo efficacy against murine malaria, and favourable preclinical pharmacokinetics including a lengthy plasma elimination half-life.1

Type
Small Molecule
Groups
Experimental
Structure
Similar Structures
Weight
Average: 398.446
Monoisotopic: 398.198126117
Chemical Formula
C21H26F4N2O
Synonyms
Not Available
External IDs
  • JPC-3210
  • MMV 892646

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
  • Plasmodium falciparum

Chemical Identifiers

UNII
Not Available
CAS number
1609655-35-7
InChI Key
DYULPLHABFGTOQ-UHFFFAOYSA-N
InChI
InChI=1S/C21H26F4N2O/c1-19(2,3)14-7-13(11-27-20(4,5)6)17(28)15(9-14)12-8-16(22)18(26-10-12)21(23,24)25/h7-10,27-28H,11H2,1-6H3
IUPAC Name
4-tert-butyl-2-[(tert-butylamino)methyl]-6-[5-fluoro-6-(trifluoromethyl)pyridin-3-yl]phenol
SMILES
CC(C)(C)NCC1=C(O)C(=CC(=C1)C(C)(C)C)C1=CN=C(C(F)=C1)C(F)(F)F

References

General References
  1. Birrell GW, Challis MP, De Paoli A, Anderson D, Devine SM, Heffernan GD, Jacobus DP, Edstein MD, Siddiqui G, Creek DJ: Multi-omic characterisation of the mode of action of a potent new antimalarial compound, JPC-3210, against Plasmodium falciparum. Mol Cell Proteomics. 2019 Dec 13. pii: RA119.001797. doi: 10.1074/mcp.RA119.001797. [Article]
Not Available

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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 Solubility0.000675 mg/mLALOGPS
logP5.27ALOGPS
logP4.51Chemaxon
logS-5.8ALOGPS
pKa (Strongest Acidic)7.87Chemaxon
pKa (Strongest Basic)10.72Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area45.15 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity102.56 m3·mol-1Chemaxon
Polarizability40.25 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Drug created at January 09, 2020 20:04 / Updated at June 12, 2020 16:53