CC-115

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
CC-115
Accession Number
DB12740
Type
Small Molecule
Groups
Investigational
Description

CC-115 has been used in trials studying the treatment of Prostate Cancer, Neoplasm Metastasis, Ewing's Osteosarcoma, Glioblastoma Multiforme, and Chronic Lymphocytic Leukemia, among others.

Structure
Thumb
Synonyms
Not Available
Categories
Not Available
UNII
FII75TFH5L
CAS number
1228013-15-7
Weight
Average: 336.359
Monoisotopic: 336.144707167
Chemical Formula
C16H16N8O
InChI Key
GMYLVKUGJMYTFB-UHFFFAOYSA-N
InChI
InChI=1S/C16H16N8O/c1-3-24-13(25)7-18-15-16(24)22-12(6-17-15)10-4-5-11(21-9(10)2)14-19-8-20-23-14/h4-6,8H,3,7H2,1-2H3,(H,17,18)(H,19,20,23)
IUPAC Name
1-ethyl-7-[2-methyl-6-(4H-1,2,4-triazol-3-yl)pyridin-3-yl]-1H,2H,3H,4H-[1,4]diazino[2,3-b]pyrazin-2-one
SMILES
CCN1C(=O)CNC2=C1N=C(C=N2)C1=CC=C(N=C1C)C1=NN=CN1

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
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
58298318
PubChem Substance
347828930
ChemSpider
35308328
BindingDB
50093082
ChEMBL
CHEMBL3586573
Wikipedia
De_Havilland_Canada_DHC-5_Buffalo

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1Active Not RecruitingTreatmentChronic Lymphocytic Leukaemia (CLL) / Ewing's Osteosarcoma / Glioblastoma Multiforme (GBM) / Neoplasms Metastasis / Prostate Cancer / Squamous Cell Carcinoma of the Head and Neck (SCCHN)1
1RecruitingTreatmentCastration Resistant Prostate Cancer (CRPC) / Prostate Cancer1
2RecruitingTreatmentGlioblastomas1

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 Solubility0.0229 mg/mLALOGPS
logP1.14ALOGPS
logP-0.36ChemAxon
logS-4.2ALOGPS
pKa (Strongest Acidic)8.91ChemAxon
pKa (Strongest Basic)2.05ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area112.58 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity103.83 m3·mol-1ChemAxon
Polarizability34.91 Å3ChemAxon
Number of Rings4ChemAxon
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 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 pyridyl-1,2,4-triazoles. These are organic compounds containing a pyridine ring attached to a 1,2,4-triazole ring.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Pyridines and derivatives
Sub Class
Pyridyltriazoles
Direct Parent
Pyridyl-1,2,4-triazoles
Alternative Parents
Alpha amino acids and derivatives / Secondary alkylarylamines / Methylpyridines / Pyrazines / Imidolactams / Triazoles / Tertiary carboxylic acid amides / Heteroaromatic compounds / Tertiary amines / Lactams
show 4 more
Substituents
Pyridyl-1,2,4-triazole / Alpha-amino acid or derivatives / Methylpyridine / Secondary aliphatic/aromatic amine / Pyrazine / Imidolactam / Azole / Heteroaromatic compound / Tertiary carboxylic acid amide / 1,2,4-triazole
show 17 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 17:57 / Updated on June 04, 2019 07:42