CUDC-101

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

Identification

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Name
CUDC-101
Accession Number
DB12174
Type
Small Molecule
Groups
Investigational
Description

CUDC-101 has been used in trials studying the treatment of Cancer, Tumors, Liver Cancer, Breast Cancer, and Gastric Cancer, among others.

Structure
Thumb
Synonyms
Not Available
Categories
UNII
1A7Y9MP123
CAS number
1012054-59-9
Weight
Average: 434.496
Monoisotopic: 434.195405333
Chemical Formula
C24H26N4O4
InChI Key
PLIVFNIUGLLCEK-UHFFFAOYSA-N
InChI
InChI=1S/C24H26N4O4/c1-3-17-9-8-10-18(13-17)27-24-19-14-22(21(31-2)15-20(19)25-16-26-24)32-12-7-5-4-6-11-23(29)28-30/h1,8-10,13-16,30H,4-7,11-12H2,2H3,(H,28,29)(H,25,26,27)
IUPAC Name
7-({4-[(3-ethynylphenyl)amino]-7-methoxyquinazolin-6-yl}oxy)-N-hydroxyheptanamide
SMILES
COC1=C(OCCCCCCC(=O)NO)C=C2C(NC3=CC=CC(=C3)C#C)=NC=NC2=C1

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
AbexinostatThe risk or severity of QTc prolongation can be increased when CUDC-101 is combined with Abexinostat.
AcebutololThe risk or severity of QTc prolongation can be increased when Acebutolol is combined with CUDC-101.
AceprometazineThe risk or severity of QTc prolongation can be increased when Aceprometazine is combined with CUDC-101.
AcetyldigoxinThe risk or severity of QTc prolongation can be increased when Acetyldigoxin is combined with CUDC-101.
AcrivastineThe risk or severity of QTc prolongation can be increased when Acrivastine is combined with CUDC-101.
AdenosineThe risk or severity of QTc prolongation can be increased when Adenosine is combined with CUDC-101.
AjmalineThe risk or severity of QTc prolongation can be increased when Ajmaline is combined with CUDC-101.
AlfuzosinThe risk or severity of QTc prolongation can be increased when Alfuzosin is combined with CUDC-101.
AlimemazineThe risk or severity of QTc prolongation can be increased when Alimemazine is combined with CUDC-101.
AmantadineThe risk or severity of QTc prolongation can be increased when Amantadine is combined with CUDC-101.
Additional Data Available
  • Extended Description
    Extended Description

    Extended description of the mechanism of action and particular properties of each drug interaction.

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  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

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  • Evidence Level
    Evidence Level

    A rating for the strength of the evidence supporting each drug interaction.

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  • Action
    Action

    An effect category for each drug interaction. Know how this interaction affects the subject drug.

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Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
24756910
PubChem Substance
347828462
ChemSpider
24650802
BindingDB
50307768
ChEMBL
CHEMBL598797
Wikipedia
Histone_deacetylase_inhibitor

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentCancer, Breast / Head and Neck Carcinoma / Liver Cancer / Lung Cancer Non-Small Cell Cancer (NSCLC) / Malignant Neoplasm of Stomach1
1CompletedTreatmentHead and Neck Carcinoma1
1CompletedTreatmentTumors1
1TerminatedTreatmentMalignancies1

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 Solubility0.00476 mg/mLALOGPS
logP3.6ALOGPS
logP3.82ChemAxon
logS-5ALOGPS
pKa (Strongest Acidic)8.91ChemAxon
pKa (Strongest Basic)4.66ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area105.6 Å2ChemAxon
Rotatable Bond Count11ChemAxon
Refractivity118.63 m3·mol-1ChemAxon
Polarizability48.17 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
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 quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Diazanaphthalenes
Sub Class
Benzodiazines
Direct Parent
Quinazolinamines
Alternative Parents
Anisoles / Aniline and substituted anilines / Aminopyrimidines and derivatives / Alkyl aryl ethers / Imidolactams / Heteroaromatic compounds / Hydroxamic acids / Azacyclic compounds / Acetylides / Organic oxides
show 3 more
Substituents
Quinazolinamine / Anisole / Phenol ether / Aniline or substituted anilines / Alkyl aryl ether / Aminopyrimidine / Monocyclic benzene moiety / Imidolactam / Benzenoid / Pyrimidine
show 15 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:32 / Updated on June 04, 2019 07:33