Carboxyamidotriazole

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

Identification

Name
Carboxyamidotriazole
Accession Number
DB11960
Type
Small Molecule
Groups
Investigational
Description

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

Structure
Thumb
Synonyms
  • CAI
External IDs
L 651582 / NSC-609974
Categories
UNII
6ST3ZF52WB
CAS number
99519-84-3
Weight
Average: 424.67
Monoisotopic: 423.0056577
Chemical Formula
C17H12Cl3N5O2
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

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
AbafunginThe therapeutic efficacy of Abafungin can be increased when used in combination with Carboxyamidotriazole.
AcepromazineThe risk or severity of hypotension can be increased when Acepromazine is combined with Carboxyamidotriazole.
AlbaconazoleThe therapeutic efficacy of Albaconazole can be increased when used in combination with Carboxyamidotriazole.
AlclometasoneThe metabolism of Carboxyamidotriazole can be decreased when combined with Alclometasone.
AlcuroniumCarboxyamidotriazole may increase the neuromuscular blocking activities of Alcuronium.
AlfuzosinThe risk or severity of hypotension can be increased when Alfuzosin is combined with Carboxyamidotriazole.
AmcinonideThe metabolism of Carboxyamidotriazole can be decreased when combined with Amcinonide.
Aminosalicylic AcidCarboxyamidotriazole may increase the anticoagulant activities of Aminosalicylic Acid.
AmiodaroneThe metabolism of Carboxyamidotriazole can be decreased when combined with Amiodarone.
AmitriptylineThe metabolism of Amitriptyline can be decreased when combined with Carboxyamidotriazole.
Food Interactions
Not Available

References

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

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentBrain and Central Nervous System Tumors / Cancer of the Ovary / Cancer, Breast / Lung Cancers / Malignant Lymphomas / Melanoma (Skin) / Renal Cancers / Small Intestine Cancer / Unspecified Adult Solid Tumor, Protocol Specific1
1CompletedTreatmentUnspecified Adult Solid Tumor, Protocol Specific1
2CompletedTreatmentAdult Giant Cell Glioblastoma / Adult Glioblastoma / Adult Gliosarcoma1
2CompletedTreatmentCancer of the Ovary / Fallopian Tube Cancer / Primary Peritoneal Cavity Cancer1
2CompletedTreatmentRenal Cancers1
2CompletedTreatmentRenal Cell Cancer, Recurrent / Stage IV Renal Cell Cancer1
3CompletedTreatmentStage IIIA Non-Small Cell Lung Cancer / Stage IIIb Non-small Cell Lung Cancer / Stage IV Non-Small Cell Lung 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 Solubility0.00318 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

Taxonomy

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
Benzophenone / Aryl-phenylketone / Diphenylmethane / 2-heteroaryl carboxamide / Benzoyl / Aryl ketone / 1,3-dichlorobenzene / Halobenzene / Chlorobenzene / Aryl chloride
show 25 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Enzymes

Kind
Protein
Organism
Human
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. [PubMed:22039822]

Drug created on October 20, 2016 15:05 / Updated on August 26, 2018 02:06