Identification

Generic Name
4'-Methylene-5,8,10-trideazaaminopterin
DrugBank Accession Number
DB05616
Background

CH-1504 is a an antirheumatic agent that has been shown in vitro to be a nonpolyglutamylatable and nonhydroxylatable antifolate that is more efficiently taken up into cells by the reduced folate carrier (RFC) system than is Methotrexate. It has been investigated for the treatment of Rheumatoid Arthritis (phase II).

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 449.467
Monoisotopic: 449.169918861
Chemical Formula
C23H23N5O5
Synonyms
Not Available
External IDs
  • CH 1504
  • CH-1504

Pharmacology

Indication

Investigated for use/treatment in inflammatory disorders (unspecified), psoriasis and psoriatic disorders, and rheumatoid arthritis.

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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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International/Other Brands
M-Trex / MobileTrex

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
8Y3RH62XPB
CAS number
238074-89-0
InChI Key
NAWXUBYGYWOOIX-UHFFFAOYSA-N
InChI
InChI=1S/C23H23N5O5/c1-12(21(30)31)10-18(22(32)33)26-20(29)15-7-4-13(5-8-15)2-3-14-6-9-17-16(11-14)19(24)28-23(25)27-17/h4-9,11,18H,1-3,10H2,(H,26,29)(H,30,31)(H,32,33)(H4,24,25,27,28)
IUPAC Name
2-({4-[2-(2,4-diaminoquinazolin-6-yl)ethyl]phenyl}formamido)-4-methylidenepentanedioic acid
SMILES
NC1=NC2=CC=C(CCC3=CC=C(C=C3)C(=O)NC(CC(=C)C(O)=O)C(O)=O)C=C2C(N)=N1

References

General References
Not Available
ChemSpider
8022251

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentRheumatoid Arthritis1

Pharmacoeconomics

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

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0234 mg/mLALOGPS
logP1.24ALOGPS
logP0.41ChemAxon
logS-4.3ALOGPS
pKa (Strongest Acidic)3.34ChemAxon
pKa (Strongest Basic)7.43ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count9ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area181.52 Å2ChemAxon
Rotatable Bond Count9ChemAxon
Refractivity122.52 m3·mol-1ChemAxon
Polarizability46.73 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Drug created at November 18, 2007 18:26 / Updated at June 12, 2020 16:52