Pyrazoloacridine
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
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
- Weight
- Average: 367.409
Monoisotopic: 367.164439556 - Chemical Formula
- C19H21N5O3
- Synonyms
- Not Available
- External IDs
- PD 115934
- PD-115934
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism ADNA topoisomerase 2-alpha modulatorHumans ADNA topoisomerase 2-beta modulatorHumans - 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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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.
Drug Interaction Integrate drug-drug
interactions in your softwareAmbroxol The risk or severity of methemoglobinemia can be increased when Pyrazoloacridine is combined with Ambroxol. Articaine The risk or severity of methemoglobinemia can be increased when Pyrazoloacridine is combined with Articaine. Benzocaine The risk or severity of methemoglobinemia can be increased when Pyrazoloacridine is combined with Benzocaine. Benzyl alcohol The risk or severity of methemoglobinemia can be increased when Pyrazoloacridine is combined with Benzyl alcohol. Bupivacaine The 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 show 5 more
- 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
- External Links
- PubChem Compound
- 5351360
- PubChem Substance
- 347828774
- ChemSpider
- 10664646
- ChEMBL
- CHEMBL118841
- ZINC
- ZINC000003778885
Clinical Trials
- Clinical Trials
Clinical Trial & Rare Diseases Add-on Data Package
Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package Phase Status Purpose Conditions Count Start Date Why Stopped 100+ additional columns Unlock 175K+ rows when you subscribe.View sample data2 Completed Treatment Brain and Central Nervous System Tumors 1 somestatus stop reason just information to hide 2 Completed Treatment Breast Cancer 2 somestatus stop reason just information to hide 2 Completed Treatment Intraocular Melanoma / Melanoma 1 somestatus stop reason just information to hide 2 Completed Treatment Lung Cancer 1 somestatus stop reason just information to hide 2 Withdrawn Treatment Liver Cancer / Metastatic Cancer 1 somestatus stop reason just information to hide
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
Property Value Source Water Solubility 0.159 mg/mL ALOGPS logP 3.03 ALOGPS logP -0.71 Chemaxon logS -3.4 ALOGPS pKa (Strongest Acidic) 4.9 Chemaxon pKa (Strongest Basic) 9.66 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 89.22 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 114 m3·mol-1 Chemaxon Polarizability 39.72 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 187.86061 predictedDeepCCS 1.0 (2019) [M+H]+ 190.2186 predictedDeepCCS 1.0 (2019) [M+Na]+ 196.31175 predictedDeepCCS 1.0 (2019)
Targets
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1. DetailsDNA topoisomerase 2-alpha
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Yes
- Actions
- Modulator
- General Function
- Key decatenating enzyme that alters DNA topology by binding to two double-stranded DNA molecules, generating a double-stranded break in one of the strands, passing the intact strand through the broken strand, and religating the broken strand (PubMed:17567603, PubMed:18790802, PubMed:22013166, PubMed:22323612). May play a role in regulating the period length of BMAL1 transcriptional oscillation (By similarity)
- Specific Function
- ATP binding
- Gene Name
- TOP2A
- Uniprot ID
- P11388
- Uniprot Name
- DNA topoisomerase 2-alpha
- Molecular Weight
- 174383.88 Da
References
- Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
2. DetailsDNA topoisomerase 2-beta
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Yes
- Actions
- Modulator
- General Function
- Key decatenating enzyme that alters DNA topology by binding to two double-stranded DNA molecules, generating a double-stranded break in one of the strands, passing the intact strand through the broken strand, and religating the broken strand. Plays a role in B-cell differentiation
- Specific Function
- ATP binding
- Gene Name
- TOP2B
- Uniprot ID
- Q02880
- Uniprot Name
- DNA topoisomerase 2-beta
- Molecular Weight
- 183265.825 Da
References
- Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
Drug created at October 20, 2016 22:48 / Updated at August 27, 2024 19:15