DTP-348

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

Identification

Generic Name
DTP-348
DrugBank Accession Number
DB12741
Background

Dtp348 has been used in trials studying the treatment of Solid Tumors and Head and Neck Neoplasms.

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 249.248
Monoisotopic: 249.053174555
Chemical Formula
C6H11N5O4S
Synonyms
Not Available
External IDs
  • DTP348

Pharmacology

Indication

Not Available

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Pharmacodynamics

Not Available

Mechanism of action
TargetActionsOrganism
ACarbonic anhydrase 9
inhibitor
Humans
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
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as nitroimidazoles. These are compounds containing an imidazole ring which bears a nitro group.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Azoles
Sub Class
Imidazoles
Direct Parent
Nitroimidazoles
Alternative Parents
Nitroaromatic compounds / 1,2,5-trisubstituted imidazoles / Sulfuric acid diamides / N-substituted imidazoles / Heteroaromatic compounds / Propargyl-type 1,3-dipolar organic compounds / Organic oxoazanium compounds / Azacyclic compounds / Organonitrogen compounds / Organic zwitterions
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Substituents
1,2,5-trisubstituted-imidazole / Allyl-type 1,3-dipolar organic compound / Aromatic heteromonocyclic compound / Azacycle / C-nitro compound / Heteroaromatic compound / Hydrocarbon derivative / N-substituted imidazole / Nitroaromatic compound / Nitroimidazole
show 13 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
2HB46A9CNM
CAS number
1383370-92-0
InChI Key
AVSMSXHPIYIKIJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H11N5O4S/c1-5-8-4-6(11(12)13)10(5)3-2-9-16(7,14)15/h4,9H,2-3H2,1H3,(H2,7,14,15)
IUPAC Name
N-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]aminosulfonamide
SMILES
CC1=NC=C(N1CCNS(N)(=O)=O)N(=O)=O

References

General References
Not Available
PubChem Compound
57413968
PubChem Substance
347828931
ChemSpider
31147316
ChEMBL
CHEMBL3087323
PDBe Ligand
2VQ
PDB Entries
4mo8

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1WithdrawnTreatmentHead and Neck Neoplasms / 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 Solubility3.83 mg/mLALOGPS
logP-0.63ALOGPS
logP-1.7Chemaxon
logS-1.8ALOGPS
pKa (Strongest Acidic)11.4Chemaxon
pKa (Strongest Basic)2.83Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area135.83 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity54.7 m3·mol-1Chemaxon
Polarizability21.97 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-0560-9620000000-f45ec34747eac682b371
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-144.08614
predicted
DeepCCS 1.0 (2019)
[M+H]+146.44414
predicted
DeepCCS 1.0 (2019)
[M+Na]+152.98026
predicted
DeepCCS 1.0 (2019)

Targets

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Kind
Protein
Organism
Humans
Pharmacological action
Yes
Actions
Inhibitor
General Function
Zinc ion binding
Specific Function
Reversible hydration of carbon dioxide. Participates in pH regulation. May be involved in the control of cell proliferation and transformation. Appears to be a novel specific biomarker for a cervic...
Gene Name
CA9
Uniprot ID
Q16790
Uniprot Name
Carbonic anhydrase 9
Molecular Weight
49697.36 Da
References
  1. Aspatwar A, Becker HM, Parvathaneni NK, Hammaren M, Svorjova A, Barker H, Supuran CT, Dubois L, Lambin P, Parikka M, Parkkila S, Winum JY: Nitroimidazole-based inhibitors DTP338 and DTP348 are safe for zebrafish embryos and efficiently inhibit the activity of human CA IX in Xenopus oocytes. J Enzyme Inhib Med Chem. 2018 Dec;33(1):1064-1073. doi: 10.1080/14756366.2018.1482285. [Article]

Drug created at October 20, 2016 23:58 / Updated at May 05, 2022 22:37