NAV

EP-0042

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

Identification

Generic Name
EP-0042
DrugBank Accession Number
DB18120
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 456.38
Monoisotopic: 455.1391992
Chemical Formula
C22H23Cl2N7
Synonyms
  • 3H-IMIDAZO(4,5-B)PYRIDINE, 6-CHLORO-7-(4-((4-CHLOROPHENYL)METHYL)-1-PIPERAZINYL)-2-(1,3-DIMETHYL-1H-PYRAZOL-4-YL)-
External IDs
  • CCT 241736
  • CCT-241736
  • CCT241736
  • EP 0042
  • EP-0042
  • EP0042
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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
EP-0042 fumarate4MJB6Z5H4F2699074-89-8UIMZDXQNEDHRLZ-WLHGVMLRSA-N

Categories

Drug Categories
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
ZE94SP78UG
CAS number
1402709-93-6
InChI Key
AKJBLKUZXRMECW-UHFFFAOYSA-N
InChI
InChI=1S/C22H23Cl2N7/c1-14-17(13-29(2)28-14)21-26-19-20(18(24)11-25-22(19)27-21)31-9-7-30(8-10-31)12-15-3-5-16(23)6-4-15/h3-6,11,13H,7-10,12H2,1-2H3,(H,25,26,27)
IUPAC Name
1-[6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl]-4-[(4-chlorophenyl)methyl]piperazine
SMILES
CN1C=C(C(C)=N1)C1=NC2=C(N3CCN(CC4=CC=C(Cl)C=C4)CC3)C(Cl)=CN=C2N1

References

General References
Not Available
ChemSpider
28644777
BindingDB
50401421
ChEMBL
CHEMBL2207503

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1, 2RecruitingTreatmentAcute Myeloid Leukemia / Chronic Myelomonocytic Leukemia / Myelodysplastic Syndrome1

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
logP3.75Chemaxon
pKa (Strongest Acidic)9.66Chemaxon
pKa (Strongest Basic)8.13Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area65.87 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity146.06 m3·mol-1Chemaxon
Polarizability48.2 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at September 12, 2023 16:51 / Updated at April 27, 2024 13:35