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

Identification

Generic Name
Carboxyamidotriazole
DrugBank Accession Number
DB11960
Background

Carboxyamidotriazole has been used in trials studying the treatment of Lymphoma, Lung Cancer, Breast Cancer, Kidney Cancer, and Ovarian Cancer, among others.

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 424.67
Monoisotopic: 423.0056577
Chemical Formula
C17H12Cl3N5O2
Synonyms
  • CAI
External IDs
  • L 651582
  • NSC-609974

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.
DrugInteraction
AbametapirThe serum concentration of Carboxyamidotriazole can be increased when it is combined with Abametapir.
AcarboseThe risk or severity of hypoglycemia can be increased when Carboxyamidotriazole is combined with Acarbose.
AcebutololAcebutolol may increase the arrhythmogenic activities of Carboxyamidotriazole.
AceclofenacThe risk or severity of hyperkalemia can be increased when Aceclofenac is combined with Carboxyamidotriazole.
AcemetacinThe risk or severity of hyperkalemia can be increased when Carboxyamidotriazole is combined with Acemetacin.
AcetohexamideThe risk or severity of hypoglycemia can be increased when Carboxyamidotriazole is combined with Acetohexamide.
AcetyldigitoxinAcetyldigitoxin may increase the arrhythmogenic activities of Carboxyamidotriazole.
Acetylsalicylic acidThe risk or severity of hyperkalemia can be increased when Acetylsalicylic acid is combined with Carboxyamidotriazole.
AdenosineAdenosine may increase the arrhythmogenic activities of Carboxyamidotriazole.
AjmalineAjmaline may increase the arrhythmogenic activities of Carboxyamidotriazole.
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Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Benzophenones
Direct Parent
Benzophenones
Alternative Parents
Aryl-phenylketones / Diphenylmethanes / 2-heteroaryl carboxamides / Dichlorobenzenes / Benzoyl derivatives / Aryl chlorides / Vinylogous halides / Vinylogous amides / Triazoles / Heteroaromatic compounds
show 8 more
Substituents
1,2,3-triazole / 1,3-dichlorobenzene / 2-heteroaryl carboxamide / Amine / Amino acid or derivatives / Aromatic heteromonocyclic compound / Aryl chloride / Aryl halide / Aryl ketone / Aryl-phenylketone
show 25 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
6ST3ZF52WB
CAS number
99519-84-3
InChI Key
WNRZHQBJSXRYJK-UHFFFAOYSA-N
InChI
InChI=1S/C17H12Cl3N5O2/c18-10-3-1-9(2-4-10)15(26)13-11(19)5-8(6-12(13)20)7-25-16(21)14(17(22)27)23-24-25/h1-6H,7,21H2,(H2,22,27)
IUPAC Name
5-amino-1-{[3,5-dichloro-4-(4-chlorobenzoyl)phenyl]methyl}-1H-1,2,3-triazole-4-carboxamide
SMILES
NC(=O)C1=C(N)N(CC2=CC(Cl)=C(C(=O)C3=CC=C(Cl)C=C3)C(Cl)=C2)N=N1

References

General References
Not Available
PubChem Compound
108144
PubChem Substance
347828284
ChemSpider
97232
BindingDB
97191
ChEMBL
CHEMBL95431
ZINC
ZINC000000538116
Wikipedia
Carboxyamidotriazole

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentAdvanced Non Small Cell Lung Cancer (NSCLC) / Stage IIIA Non Small Cell Lung Cancer / Stage IIIB Non Small Cell Lung Cancer1
2CompletedTreatmentAdult Giant Cell Glioblastoma / Glioblastoma, Adult / Gliosarcoma, Adult1
2CompletedTreatmentFallopian Tubes Cancer / Ovarian Cancer / Primary Peritoneal Cavity Cancer1
2CompletedTreatmentRenal Cancers1
2CompletedTreatmentRenal Cell Cancer, Recurrent / Stage IV Renal Cell Cancer1
1CompletedTreatmentBrain and Central Nervous System Tumors / Breast Cancer / Lung Cancers / Malignant Lymphomas / Melanoma / Ovarian Cancer / Renal Cancers / Small Intestine Cancer / Unspecified Adult Solid Tumor, Protocol Specific1
1CompletedTreatmentUnspecified Adult Solid Tumor, Protocol Specific1

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 Solubility0.00318 mg/mLALOGPS
logP3.71ALOGPS
logP4.16ChemAxon
logS-5.1ALOGPS
pKa (Strongest Acidic)13.13ChemAxon
pKa (Strongest Basic)0.69ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area116.89 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity115.58 m3·mol-1ChemAxon
Polarizability39.19 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
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-MSNot Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Enzymes

Kind
Protein
Organism
Humans
Pharmacological action
No
Actions
Substrate
General Function
Vitamin d3 25-hydroxylase activity
Specific Function
Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It performs a variety of oxidation react...
Gene Name
CYP3A4
Uniprot ID
P08684
Uniprot Name
Cytochrome P450 3A4
Molecular Weight
57342.67 Da
References
  1. Uesawa Y, Takeuchi T, Mohri K: Integrated analysis on the physicochemical properties of dihydropyridine calcium channel blockers in grapefruit juice interactions. Curr Pharm Biotechnol. 2012 Jul;13(9):1705-17. [Article]

Drug created at October 20, 2016 21:05 / Updated at June 12, 2020 16:53