MKC-1

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

Identification

Name
MKC-1
Accession Number
DB05608
Description
Not Available
Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 400.394
Monoisotopic: 400.117155011
Chemical Formula
C22H16N4O4
Synonyms
Not Available
External IDs
  • ENMD-2076
  • ENMD-981693
  • R 440
  • RO 31-7453
  • RO-31-7453

Pharmacology

Indication

Investigated for use/treatment in breast cancer, leukemia (unspecified), lung cancer, and solid tumors.

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
Affected organisms
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.
Not Available
Food Interactions
Not Available

Products

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as n-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 1-position.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Indoles and derivatives
Sub Class
N-alkylindoles
Direct Parent
N-alkylindoles
Alternative Parents
Indoles / Nitroaromatic compounds / Maleimides / Benzenoids / N-methylpyrroles / Pyrrolines / Dicarboximides / Heteroaromatic compounds / N-unsubstituted carboxylic acid imides / Propargyl-type 1,3-dipolar organic compounds
show 7 more
Substituents
Allyl-type 1,3-dipolar organic compound / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / C-nitro compound / Carbonyl group / Carboxylic acid derivative / Carboxylic acid imide / Carboxylic acid imide, n-unsubstituted / Dicarboximide
show 20 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Chemical Identifiers

UNII
DNZ11VPY7Q
CAS number
125313-92-0
InChI Key
OVSKGTONMLKNPZ-UHFFFAOYSA-N
InChI
InChI=1S/C22H16N4O4/c1-24-10-15(13-5-3-4-6-17(13)24)19-20(22(28)23-21(19)27)16-11-25(2)18-9-12(26(29)30)7-8-14(16)18/h3-11H,1-2H3,(H,23,27,28)
IUPAC Name
3-(1-methyl-1H-indol-3-yl)-4-(1-methyl-6-nitro-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
SMILES
CN1C=C(C2=CC=CC=C12)C1=C(C(=O)NC1=O)C1=CN(C)C2=CC(=CC=C12)[N+]([O-])=O

References

General References
Not Available
ChemSpider
4484856
BindingDB
2622
ChEMBL
CHEMBL52885
ZINC
ZINC000000602485

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentAdvanced Adult Hepatocellular Carcinoma / Advanced Fibrolamellar Carcinoma1
2CompletedTreatmentAdvanced / Metastatic / Soft Tissue Sarcoma (STS)1
2CompletedTreatmentBreast Cancer1
2CompletedTreatmentColorectal Cancers1
2CompletedTreatmentEndometrial Cancer / Ovarian Cancer1
2CompletedTreatmentFallopian Cancer / Malignant Peritoneal Neoplasm / Ovarian Cancer1
2CompletedTreatmentMalignant Neoplasm of Pancreas1
2CompletedTreatmentOvarian Clear Cell Carcinoma1
2RecruitingTreatmentTriple Negative Breast Cancer (TNBC)1
1CompletedTreatmentAgnogenic Myeloid Metaplasia / Haematological Malignancies / Myelodysplasia1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0373 mg/mLALOGPS
logP3.67ALOGPS
logP3.29ChemAxon
logS-4ALOGPS
pKa (Strongest Acidic)9.71ChemAxon
pKa (Strongest Basic)-4.9ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area99.17 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity110.54 m3·mol-1ChemAxon
Polarizability41.11 Å3ChemAxon
Number of Rings5ChemAxon
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

Drug created on November 18, 2007 11:26 / Updated on June 12, 2020 10:52

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