CG-200745

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

Identification

Name
CG-200745
Accession Number
DB12259
Type
Small Molecule
Groups
Investigational
Description

Cg200745 has been used in trials studying the treatment of Solid Tumour.

Structure
Thumb
3D
Similar Structures
Synonyms
Not Available
External IDs
CG200745 / HDCG-0745 / J3.106.463E
Categories
UNII
4I8MLM7L2H
CAS number
936221-33-9
Weight
Average: 427.545
Monoisotopic: 427.247106555
Chemical Formula
C24H33N3O4
InChI Key
AUGCSOFQTDKPSO-RGVLZGJSSA-N
InChI
InChI=1S/C24H33N3O4/c1-27(2)17-9-16-25-24(29)20(11-4-3-5-15-23(28)26-30)18-31-22-14-8-12-19-10-6-7-13-21(19)22/h6-8,10-14,30H,3-5,9,15-18H2,1-2H3,(H,25,29)(H,26,28)/b20-11+
IUPAC Name
(2E)-N-[3-(dimethylamino)propyl]-N'-hydroxy-2-[(naphthalen-1-yloxy)methyl]oct-2-enediamide
SMILES
CN(C)CCCNC(=O)C(\COC1=C2C=CC=CC2=CC=C1)=C\CCCCC(=O)NO

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
16117309
PubChem Substance
347828532
ChemSpider
17274527

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1Unknown StatusTreatmentTumors, Solid1

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 Solubility0.00493 mg/mLALOGPS
logP3.87ALOGPS
logP1.71ChemAxon
logS-4.9ALOGPS
pKa (Strongest Acidic)8.76ChemAxon
pKa (Strongest Basic)9.45ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area90.9 Å2ChemAxon
Rotatable Bond Count13ChemAxon
Refractivity123.07 m3·mol-1ChemAxon
Polarizability48.93 Å3ChemAxon
Number of Rings2ChemAxon
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 naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Naphthalenes
Sub Class
Not Available
Direct Parent
Naphthalenes
Alternative Parents
Phenol ethers / Alkyl aryl ethers / N-acyl amines / Trialkylamines / Secondary carboxylic acid amides / Hydroxamic acids / Amino acids and derivatives / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
Substituents
Naphthalene / Phenol ether / Alkyl aryl ether / N-acyl-amine / Amino acid or derivatives / Carboxamide group / Hydroxamic acid / Secondary carboxylic acid amide / Tertiary amine / Tertiary aliphatic amine
Molecular Framework
Aromatic homopolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:44 / Updated on November 02, 2018 07:22