NAV

CDC-801

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

Identification

Generic Name
CDC-801
DrugBank Accession Number
DB15640
Background

CDC-801 is under investigation in clinical trial NCT00006097 (Chemotherapy in Treating Patients With Chronic Lymphocytic Leukemia).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 408.454
Monoisotopic: 408.168521881
Chemical Formula
C23H24N2O5
Synonyms
Not Available
External IDs
  • CC-1088
  • CDC-801
  • CDC801
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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
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

Categories

Drug Categories
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
95HB56U8P8
CAS number
192819-27-5
InChI Key
DDYUBCCTNHWSQM-UHFFFAOYSA-N
InChI
InChI=1S/C23H24N2O5/c1-29-19-11-10-14(12-20(19)30-15-6-2-3-7-15)18(13-21(24)26)25-22(27)16-8-4-5-9-17(16)23(25)28/h4-5,8-12,15,18H,2-3,6-7,13H2,1H3,(H2,24,26)
IUPAC Name
3-[3-(cyclopentyloxy)-4-methoxyphenyl]-3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanamide
SMILES
COC1=CC=C(C=C1OC1CCCC1)C(CC(N)=O)N1C(=O)C2=C(C=CC=C2)C1=O

References

General References
Not Available
ChemSpider
8020053
BindingDB
50216298
ChEMBL
CHEMBL88153

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentMyelodysplastic Syndrome1
1, 2CompletedTreatmentLeukemias1

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 Solubility0.0106 mg/mLALOGPS
logP2.38ALOGPS
logP2.65Chemaxon
logS-4.6ALOGPS
pKa (Strongest Acidic)15.49Chemaxon
pKa (Strongest Basic)-2.3Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area98.93 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity110.44 m3·mol-1Chemaxon
Polarizability42.7 Å3Chemaxon
Number of Rings4Chemaxon
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/MSsplash10-006y-0319100000-f142d05682543e52eade
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-0900100000-5157dd86541535fa8671
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00dm-0229000000-97c22cdaa981dc08b3d5
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-3904200000-1fa5d3183989ebcf96e4
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-055g-5973100000-0845ecf7ea9f5d139ccd
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0007-8901100000-c9472285087ee26cf4f6
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at March 08, 2020 14:57 / Updated at June 12, 2020 16:53