NAV

Pyrazoloacridine

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

Identification

Generic Name
Pyrazoloacridine
DrugBank Accession Number
DB12549
Background

Pyrazoloacridine has been used in trials studying the treatment of Lung Cancer, Liver Cancer, Breast Cancer, Melanoma (Skin), and Metastatic Cancer, among others.

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 367.409
Monoisotopic: 367.164439556
Chemical Formula
C19H21N5O3
Synonyms
Not Available
External IDs
  • PD 115934
  • PD-115934
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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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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.
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interactions in your software
AmbroxolThe risk or severity of methemoglobinemia can be increased when Pyrazoloacridine is combined with Ambroxol.
ArticaineThe risk or severity of methemoglobinemia can be increased when Pyrazoloacridine is combined with Articaine.
BenzocaineThe risk or severity of methemoglobinemia can be increased when Pyrazoloacridine is combined with Benzocaine.
Benzyl alcoholThe risk or severity of methemoglobinemia can be increased when Pyrazoloacridine is combined with Benzyl alcohol.
BupivacaineThe risk or severity of methemoglobinemia can be increased when Pyrazoloacridine is combined with Bupivacaine.
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as acridines. These are organic compounds containing the acridine moiety, a linear tricyclic heterocycle which consists of two benzene rings joined by a pyridine ring.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Quinolines and derivatives
Sub Class
Benzoquinolines
Direct Parent
Acridines
Alternative Parents
Indazoles / Nitroaromatic compounds / Anisoles / Alkyl aryl ethers / Pyridines and derivatives / Pyrazoles / Heteroaromatic compounds / Trialkylamines / Propargyl-type 1,3-dipolar organic compounds / Organic oxoazanium compounds
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Substituents
Acridine / Alkyl aryl ether / Allyl-type 1,3-dipolar organic compound / Amine / Anisole / Aromatic heteropolycyclic compound / Azacycle / Azole / Benzenoid / Benzopyrazole
show 22 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
L24XJN68OW
CAS number
99009-20-8
InChI Key
HZCWPKGYTCJSEB-UHFFFAOYSA-N
InChI
InChI=1S/C19H21N5O3/c1-22(2)9-4-10-23-15-7-8-16(24(25)26)19-17(15)18(21-23)13-11-12(27-3)5-6-14(13)20-19/h5-8,11,20H,4,9-10H2,1-3H3
IUPAC Name
(3-{4-methoxy-10-nitro-8,14,15-triazatetracyclo[7.6.1.0^{2,7}.0^{13,16}]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-14-yl}propyl)dimethylamine
SMILES
COC1=CC=C2NC3=C4C(=CC=C3[N+]([O-])=O)N(CCCN(C)C)N=C4C2=C1

References

General References
Not Available
PubChem Compound
5351360
PubChem Substance
347828774
ChemSpider
10664646
ChEMBL
CHEMBL118841
ZINC
ZINC000003778885

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
2CompletedTreatmentBrain and Central Nervous System Tumors1
2CompletedTreatmentBreast Cancer2
2CompletedTreatmentIntraocular Melanoma / Melanoma1
2CompletedTreatmentLung Cancer1
2WithdrawnTreatmentLiver Cancer / Metastatic Cancer1

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 Solubility0.159 mg/mLALOGPS
logP3.03ALOGPS
logP-0.71Chemaxon
logS-3.4ALOGPS
pKa (Strongest Acidic)4.9Chemaxon
pKa (Strongest Basic)9.66Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area89.22 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity114 m3·mol-1Chemaxon
Polarizability39.72 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
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)
AdductCCS Value (Å2)Source typeSource
[M-H]-187.86061
predicted
DeepCCS 1.0 (2019)
[M+H]+190.2186
predicted
DeepCCS 1.0 (2019)
[M+Na]+196.31175
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 22:48 / Updated at June 12, 2020 16:53