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
Product Ingredients
Not Available
Approved Prescription Products
Not Available
Approved Generic Prescription Products
Not Available
Approved Over the Counter Products
Not Available
Unapproved/Other Products
Not Available
International/Other Brands
Not Available
Brand mixtures
Not Available
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
Structured Indications
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
DrugInteractionDrug group
2-HYDROXY-1,4-NAPHTHOQUINONEThe risk or severity of adverse effects can be increased when 2-HYDROXY-1,4-NAPHTHOQUINONE is combined with Cai.Experimental
2-mercaptobenzothiazoleThe risk or severity of adverse effects can be increased when 2-mercaptobenzothiazole is combined with Cai.Vet Approved
AcetyldigitoxinAcetyldigitoxin may decrease the cardiotoxic activities of Cai.Approved
AlfuzosinAlfuzosin may increase the hypotensive activities of Cai.Approved, Investigational
AmobarbitalThe metabolism of Cai can be increased when combined with Amobarbital.Approved, Illicit
AmorolfineThe risk or severity of adverse effects can be increased when Amorolfine is combined with Cai.Approved
Amphotericin BThe risk or severity of adverse effects can be increased when Amphotericin B is combined with Cai.Approved, Investigational
AnidulafunginThe risk or severity of adverse effects can be increased when Anidulafungin is combined with Cai.Approved, Investigational
ArtemetherThe risk or severity of adverse effects can be increased when Artemether is combined with Cai.Approved
AtosibanThe risk or severity of adverse effects can be increased when Cai is combined with Atosiban.Approved
Atracurium besylateCai may increase the neuromuscular blocking activities of Atracurium besylate.Approved
Bafilomycin A1The risk or severity of adverse effects can be increased when Bafilomycin A1 is combined with Cai.Experimental
BarbexacloneThe metabolism of Cai can be increased when combined with Barbexaclone.Experimental
BarbitalThe metabolism of Cai can be increased when combined with Barbital.Illicit
Benzoic AcidThe risk or severity of adverse effects can be increased when Benzoic Acid is combined with Cai.Approved
BevacizumabBevacizumab may increase the cardiotoxic activities of Cai.Approved, Investigational
BifonazoleThe risk or severity of adverse effects can be increased when Bifonazole is combined with Cai.Approved
BucindololBucindolol may increase the hypotensive activities of Cai.Investigational
ButenafineThe risk or severity of adverse effects can be increased when Butenafine is combined with Cai.Approved
ButoconazoleThe risk or severity of adverse effects can be increased when Butoconazole is combined with Cai.Approved
CabazitaxelThe risk or severity of adverse effects can be increased when Cabazitaxel is combined with Cai.Approved
CalciumThe therapeutic efficacy of Cai can be decreased when used in combination with Calcium.Nutraceutical
Calcium AcetateThe therapeutic efficacy of Cai can be decreased when used in combination with Calcium Acetate.Approved
Calcium CarbonateThe therapeutic efficacy of Cai can be decreased when used in combination with Calcium carbonate.Approved
Calcium ChlorideThe therapeutic efficacy of Cai can be decreased when used in combination with Calcium Chloride.Approved
Calcium CitrateThe therapeutic efficacy of Cai can be decreased when used in combination with Calcium citrate.Approved
Calcium glubionateThe therapeutic efficacy of Cai can be decreased when used in combination with Calcium glubionate.Approved
Calcium GluceptateThe therapeutic efficacy of Cai can be decreased when used in combination with Calcium Gluceptate.Approved
Calcium gluconateThe therapeutic efficacy of Cai can be decreased when used in combination with Calcium gluconate.Approved, Vet Approved
CandicidinThe risk or severity of adverse effects can be increased when Candicidin is combined with Cai.Withdrawn
Capric acidThe risk or severity of adverse effects can be increased when Decanoic Acid is combined with Cai.Experimental
CarbomycinThe metabolism of Cai can be decreased when combined with Carbomycin.Vet Approved
CarvedilolCarvedilol may increase the hypotensive activities of Cai.Approved, Investigational
CaspofunginThe risk or severity of adverse effects can be increased when Caspofungin is combined with Cai.Approved
CeruleninThe risk or severity of adverse effects can be increased when Cerulenin is combined with Cai.Approved
ChloroxineThe risk or severity of adverse effects can be increased when Chloroxine is combined with Cai.Approved
CiclopiroxThe risk or severity of adverse effects can be increased when Ciclopirox is combined with Cai.Approved, Investigational
CimetidineThe serum concentration of Cai can be increased when it is combined with Cimetidine.Approved
ClarithromycinThe metabolism of Cai can be decreased when combined with Clarithromycin.Approved
ClopidogrelThe therapeutic efficacy of Clopidogrel can be decreased when used in combination with Cai.Approved, Nutraceutical
ClotrimazoleThe risk or severity of adverse effects can be increased when Clotrimazole is combined with Cai.Approved, Vet Approved
CordycepinThe risk or severity of adverse effects can be increased when Cordycepin is combined with Cai.Investigational
CyclophosphamideCyclophosphamide may increase the cardiotoxic activities of Cai.Approved, Investigational
CyclosporineThe risk or severity of adverse effects can be increased when Cyclosporine is combined with Cai.Approved, Investigational, Vet Approved
DapoxetineDapoxetine may increase the orthostatic hypotensive activities of Cai.Investigational
DeslanosideDeslanoside may decrease the cardiotoxic activities of Cai.Approved
DigitoxinDigitoxin may decrease the cardiotoxic activities of Cai.Approved
DigoxinDigoxin may decrease the cardiotoxic activities of Cai.Approved
DocetaxelThe risk or severity of adverse effects can be increased when Docetaxel is combined with Cai.Approved, Investigational
DoxazosinDoxazosin may increase the hypotensive activities of Cai.Approved
EconazoleThe risk or severity of adverse effects can be increased when Econazole is combined with Cai.Approved
EfavirenzThe serum concentration of Cai can be decreased when it is combined with Efavirenz.Approved, Investigational
EfinaconazoleThe risk or severity of adverse effects can be increased when Efinaconazole is combined with Cai.Approved
ErythromycinThe metabolism of Cai can be decreased when combined with Erythromycin.Approved, Vet Approved
FluconazoleThe serum concentration of Cai can be increased when it is combined with Fluconazole.Approved
FlucytosineThe risk or severity of adverse effects can be increased when Flucytosine is combined with Cai.Approved
FosphenytoinThe serum concentration of Fosphenytoin can be increased when it is combined with Cai.Approved
GlyphosateThe risk or severity of adverse effects can be increased when Glyphosate is combined with Cai.Experimental
GriseofulvinThe risk or severity of adverse effects can be increased when Griseofulvin is combined with Cai.Approved, Vet Approved
HaloproginThe risk or severity of adverse effects can be increased when Haloprogin is combined with Cai.Approved, Withdrawn
HexetidineThe risk or severity of adverse effects can be increased when Hexetidine is combined with Cai.Approved
HexobarbitalThe metabolism of Cai can be increased when combined with Hexobarbital.Approved
IndoraminIndoramin may increase the hypotensive activities of Cai.Withdrawn
IsoconazoleThe risk or severity of adverse effects can be increased when Isoconazole is combined with Cai.Approved
ItraconazoleThe risk or severity of adverse effects can be increased when Itraconazole is combined with Cai.Approved, Investigational
JosamycinThe metabolism of Cai can be decreased when combined with Josamycin.Approved
KetoconazoleThe risk or severity of adverse effects can be increased when Ketoconazole is combined with Cai.Approved, Investigational
KitasamycinThe metabolism of Cai can be decreased when combined with Kitasamycin.Experimental
LabetalolLabetalol may increase the hypotensive activities of Cai.Approved
Magnesium HydroxideThe risk or severity of adverse effects can be increased when Cai is combined with Magnesium hydroxide.Approved
Magnesium oxideThe risk or severity of adverse effects can be increased when Cai is combined with Magnesium oxide.Approved
Magnesium salicylateThe risk or severity of adverse effects can be increased when Cai is combined with Magnesium salicylate.Approved
Magnesium SulfateThe risk or severity of adverse effects can be increased when Cai is combined with Magnesium Sulfate.Approved, Vet Approved
MethohexitalThe metabolism of Cai can be increased when combined with Methohexital.Approved
MethylphenobarbitalThe metabolism of Cai can be increased when combined with Methylphenobarbital.Approved
MevastatinThe risk or severity of adverse effects can be increased when Mevastatin is combined with Cai.Experimental
MicafunginThe risk or severity of adverse effects can be increased when Micafungin is combined with Cai.Approved, Investigational
MiconazoleThe risk or severity of adverse effects can be increased when Miconazole is combined with Cai.Approved, Investigational, Vet Approved
MiltefosineThe risk or severity of adverse effects can be increased when Miltefosine is combined with Cai.Approved
MivacuriumCai may increase the neuromuscular blocking activities of Mivacurium.Approved
MonensinThe risk or severity of adverse effects can be increased when Monensin is combined with Cai.Vet Approved
MyxothiazolThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Cai.Experimental
NafcillinThe metabolism of Cai can be increased when combined with Nafcillin.Approved
NaftifineThe risk or severity of adverse effects can be increased when Naftifine is combined with Cai.Approved
NatamycinThe risk or severity of adverse effects can be increased when Natamycin is combined with Cai.Approved
NitroprussideCai may increase the hypotensive activities of Nitroprusside.Approved
NitroxolineThe risk or severity of adverse effects can be increased when Nitroxoline is combined with Cai.Approved
NystatinThe risk or severity of adverse effects can be increased when Nystatin is combined with Cai.Approved, Vet Approved
OleandomycinThe metabolism of Cai can be decreased when combined with Oleandomycin.Vet Approved
OleandrinAnvirzel may decrease the cardiotoxic activities of Cai.Experimental
OuabainOuabain may decrease the cardiotoxic activities of Cai.Approved
OxiconazoleThe risk or severity of adverse effects can be increased when Oxiconazole is combined with Cai.Approved
PaclitaxelThe risk or severity of adverse effects can be increased when Paclitaxel is combined with Cai.Approved, Vet Approved
pafuramidineThe risk or severity of adverse effects can be increased when pafuramidine is combined with Cai.Investigational
PentamidineThe risk or severity of adverse effects can be increased when Pentamidine is combined with Cai.Approved
PentobarbitalThe metabolism of Cai can be increased when combined with Pentobarbital.Approved, Vet Approved
PhenobarbitalThe metabolism of Cai can be increased when combined with Phenobarbital.Approved
PhenytoinThe serum concentration of Phenytoin can be increased when it is combined with Cai.Approved, Vet Approved
PosaconazoleThe risk or severity of adverse effects can be increased when Posaconazole is combined with Cai.Approved, Investigational, Vet Approved
PrazosinPrazosin may increase the hypotensive activities of Cai.Approved
PrimidoneThe metabolism of Cai can be increased when combined with Primidone.Approved, Vet Approved
RadicicolThe risk or severity of adverse effects can be increased when Radicicol is combined with Cai.Experimental
RapacuroniumCai may increase the neuromuscular blocking activities of Rapacuronium.Withdrawn
RifabutinThe serum concentration of Cai can be decreased when it is combined with Rifabutin.Approved
RifampicinThe serum concentration of Cai can be decreased when it is combined with Rifampicin.Approved
RifapentineThe serum concentration of Cai can be decreased when it is combined with Rifapentine.Approved
Salicylhydroxamic AcidThe risk or severity of adverse effects can be increased when Salicylhydroxamic Acid is combined with Cai.Experimental
Salicylic acidThe risk or severity of adverse effects can be increased when Salicylic acid is combined with Cai.Approved, Vet Approved
SecobarbitalThe metabolism of Cai can be increased when combined with Secobarbital.Approved, Vet Approved
SertaconazoleThe risk or severity of adverse effects can be increased when Sertaconazole is combined with Cai.Approved
SilodosinSilodosin may increase the hypotensive activities of Cai.Approved
SinefunginThe risk or severity of adverse effects can be increased when Sinefungin is combined with Cai.Experimental
SirolimusThe risk or severity of adverse effects can be increased when Sirolimus is combined with Cai.Approved, Investigational
SolithromycinThe metabolism of Cai can be decreased when combined with Solithromycin.Investigational
SulconazoleThe risk or severity of adverse effects can be increased when Sulconazole is combined with Cai.Approved
TamsulosinTamsulosin may increase the hypotensive activities of Cai.Approved, Investigational
TavaboroleThe risk or severity of adverse effects can be increased when Tavaborole is combined with Cai.Approved
TelithromycinThe metabolism of Cai can be decreased when combined with Telithromycin.Approved
TerazosinTerazosin may increase the hypotensive activities of Cai.Approved
TerbinafineThe risk or severity of adverse effects can be increased when Terbinafine is combined with Cai.Approved, Investigational, Vet Approved
TerconazoleThe risk or severity of adverse effects can be increased when Terconazole is combined with Cai.Approved
ThiamylalThe metabolism of Cai can be increased when combined with Thiamylal.Approved, Vet Approved
ThiopentalThe metabolism of Cai can be increased when combined with Thiopental.Approved, Vet Approved
ThymolThe risk or severity of adverse effects can be increased when Thymol is combined with Cai.Approved
TioconazoleThe risk or severity of adverse effects can be increased when Tioconazole is combined with Cai.Approved
TolnaftateThe risk or severity of adverse effects can be increased when Tolnaftate is combined with Cai.Approved, Vet Approved
TrastuzumabTrastuzumab may increase the cardiotoxic activities of Cai.Approved, Investigational
TrimazosinTrimazosin may increase the hypotensive activities of Cai.Experimental
TrimetrexateThe risk or severity of adverse effects can be increased when Trimetrexate is combined with Cai.Approved, Investigational
TylosinThe metabolism of Cai can be decreased when combined with Tylosin.Vet Approved
VoriconazoleThe risk or severity of adverse effects can be increased when Voriconazole is combined with Cai.Approved, Investigational
Food Interactions
Not Available

References

Synthesis Reference
Not Available
General References
Not Available
External Links
ChemSpider
97232
BindingDB
97191
ChEMBL
CHEMBL95431
ATC Codes
Not Available
AHFS Codes
Not Available
PDB Entries
Not Available
FDA label
Not Available
MSDS
Not Available

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentBrain and Central Nervous System Tumors / Cancer, Breast / Cancer, Ovarian / 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, Ovarian / Fallopian Tube Cancer / Primary Peritoneal Cavity Cancer1
2CompletedTreatmentRecurrent Renal Cell Cancer / Stage IV Renal Cell Cancer1
2CompletedTreatmentRenal Cancers1
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 LC-MS/MS Spectrum - 10V, PositivePredicted LC-MS/MSNot Available
Predicted LC-MS/MS Spectrum - 20V, PositivePredicted LC-MS/MSNot Available
Predicted LC-MS/MS Spectrum - 40V, PositivePredicted LC-MS/MSNot Available
Predicted LC-MS/MS Spectrum - 10V, NegativePredicted LC-MS/MSNot Available
Predicted LC-MS/MS Spectrum - 20V, NegativePredicted LC-MS/MSNot Available
Predicted LC-MS/MS Spectrum - 40V, NegativePredicted LC-MS/MSNot Available

Taxonomy

Classification
Not classified
Drug created on October 20, 2016 15:05 / Updated on September 01, 2017 12:15