NAV

CG-200745

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

Identification

Generic Name
CG-200745
DrugBank Accession Number
DB12259
Background

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

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 427.545
Monoisotopic: 427.247106555
Chemical Formula
C24H33N3O4
Synonyms
Not Available
External IDs
  • CG200745
  • HDCG-0745
  • J3.106.463E
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Pharmacology

Indication

Not Available

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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

Pathways
Not Available
Pharmacogenomic Effects/ADRs Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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.
DrugInteraction
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interactions in your software
AmbroxolThe risk or severity of methemoglobinemia can be increased when CG-200745 is combined with Ambroxol.
ArticaineThe risk or severity of methemoglobinemia can be increased when CG-200745 is combined with Articaine.
BenzocaineThe risk or severity of methemoglobinemia can be increased when CG-200745 is combined with Benzocaine.
Benzyl alcoholThe risk or severity of methemoglobinemia can be increased when CG-200745 is combined with Benzyl alcohol.
BupivacaineThe risk or severity of methemoglobinemia can be increased when CG-200745 is combined with Bupivacaine.
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
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
Alkyl aryl ether / Amine / Amino acid or derivatives / Aromatic homopolycyclic compound / Carbonyl group / Carboxamide group / Carboxylic acid derivative / Ether / Hydrocarbon derivative / Hydroxamic acid
Molecular Framework
Aromatic homopolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
4I8MLM7L2H
CAS number
936221-33-9
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

References

General References
Not Available
PubChem Compound
16117309
PubChem Substance
347828532
ChemSpider
17274527
ChEMBL
CHEMBL4297366

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
1CompletedTreatmentHealthy Subjects (HS)1
1Unknown StatusTreatmentSolid Tumors1
1, 2Active Not RecruitingTreatmentMyelodysplastic Syndrome1
1, 2Unknown StatusTreatmentPancreatic Neoplasms1

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/MSsplash10-0032-3596400000-e5e54b6fb7bb77139af0
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-0249200000-7d7197f98d8762f64c0c
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-1932000000-fd83fa1bacfad809f99e
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-05o1-5192000000-3d503e9af563e9c2b007
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-4941000000-72b2d92482f1d0c2d05b
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0ki2-5963100000-638dc7a3bcfd0efd2d4d
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-194.72421
predicted
DeepCCS 1.0 (2019)
[M+H]+197.20396
predicted
DeepCCS 1.0 (2019)
[M+Na]+204.36513
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:44 / Updated at July 18, 2023 22:57