NAV

OBI-3424

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

Identification

Generic Name
OBI-3424
DrugBank Accession Number
DB16057
Background

OBI-3424 is under investigation in clinical trial NCT04315324 (Study to Test Akr1c3-activated Prodrug OBI-3424 (OBI-3424) in Patients With Relapsed/refractory T-cell Acute Lymphoblastic Leukemia (T-ALL)).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 460.427
Monoisotopic: 460.151171539
Chemical Formula
C21H25N4O6P
Synonyms
  • 3-(5-((1R)-1-(Bis(aziridin-1-yl(phosphoryloxy)ethyl)-2-nitrophenoxy)-N,N-dimethylbenzamide
  • 3-[5-[(1R)-1-[bis(aziridin-1-yl(phosphoryloxy]ethyl]-2-nitrophenoxy]-N,N-dimethylbenzamide
  • OBI 3424
  • OBI3424
  • Phosphinic acid, P,P-bis(1-aziridinyl)-, (1R)-1-(3-(3-((dimethylamino)carbonyl)phenoxy)-4-nitrophenyl)ethyl ester
External IDs
  • OBI-3424
  • TH-3424
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Pharmacology

Indication

Not Available

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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
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
X6SH5T8H76
CAS number
2097713-68-1
InChI Key
NWGZZGNICQFUHV-OAHLLOKOSA-N
InChI
InChI=1S/C21H25N4O6P/c1-15(31-32(29,23-9-10-23)24-11-12-24)16-7-8-19(25(27)28)20(14-16)30-18-6-4-5-17(13-18)21(26)22(2)3/h4-8,13-15H,9-12H2,1-3H3/t15-/m1/s1
IUPAC Name
(1R)-1-{3-[3-(dimethylcarbamoyl)phenoxy]-4-nitrophenyl}ethyl bis(aziridin-1-yl)phosphinate
SMILES
C[C@@H](OP(=O)(N1CC1)N1CC1)C1=CC(OC2=CC(=CC=C2)C(=O)N(C)C)=C(C=C1)[N+]([O-])=O

References

General References
Not Available
ChemSpider
59053018
ChEMBL
CHEMBL4297474
PDBe Ligand
6LG

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2RecruitingTreatmentRecurrent T-cell Acute Lymphoblastic Leukemia / Refractory T-cell Acute Lymphoblastic Leukemia1
1, 2RecruitingTreatmentPancreatic Adenocarcinoma / Solid Tumors1

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 Solubility0.141 mg/mLALOGPS
logP2.36ALOGPS
logP1.64Chemaxon
logS-3.5ALOGPS
pKa (Strongest Basic)-1.1Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area105 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity118.32 m3·mol-1Chemaxon
Polarizability44.35 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at December 15, 2020 18:03 / Updated at July 18, 2023 22:58