NAV

CXD101

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

Identification

Generic Name
CXD101
DrugBank Accession Number
DB16182
Background

CXD101 is under investigation in clinical trial NCT03873025 (A Study of CXD101 in Combination With Pembrolizumab for Relapsed or Refractory Diffuse Large B-cell Lymphoma).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 403.53
Monoisotopic: 403.237210574
Chemical Formula
C24H29N5O
Synonyms
  • Hdac inhibitor cxd101
  • Hdac-in-4
External IDs
  • AZD-9468
  • CXD-101
  • CXD101
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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
5TNV87ICD2
CAS number
934828-12-3
InChI Key
JHDZMASHNBKTPS-UHFFFAOYSA-N
InChI
InChI=1S/C24H29N5O/c1-17-21(15-28(2)27-17)16-29-13-11-19(12-14-29)18-7-9-20(10-8-18)24(30)26-23-6-4-3-5-22(23)25/h3-10,15,19H,11-14,16,25H2,1-2H3,(H,26,30)
IUPAC Name
N-(2-aminophenyl)-4-{1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}benzamide
SMILES
CN1C=C(CN2CCC(CC2)C2=CC=C(C=C2)C(=O)NC2=CC=CC=C2N)C(C)=N1

References

General References
Not Available
ChemSpider
17352606
ChEMBL
CHEMBL4297489
ZINC
ZINC000060328762

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2RecruitingTreatmentHCC1
1CompletedTreatmentAdvanced Malignant Neoplasm1
1, 2Unknown StatusTreatmentColorectal Neoplasms, Malignant1
1, 2WithdrawnTreatmentDiffuse Large B-Cell Lymphoma (DLBCL)1

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 Solubility0.0144 mg/mLALOGPS
logP3.56ALOGPS
logP3.01Chemaxon
logS-4.4ALOGPS
pKa (Strongest Acidic)15.94Chemaxon
pKa (Strongest Basic)8.3Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area76.18 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity135.12 m3·mol-1Chemaxon
Polarizability47.29 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
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/MSsplash10-0002-0090000000-f2cda0647bdb1d468bef
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-0010900000-9b837dee32949450fb1d
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0f6t-0192400000-127a99b39b8531b5f838
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0pbc-5729400000-e0b3da00d2566bcfd278
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0rka-0984200000-8a747d929e47d1379234
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-07or-1429000000-20fbeb0009bd2ce8d4ea
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at December 15, 2020 18:14 / Updated at December 20, 2020 03:38