NAV

Nanatinostat

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

Identification

Generic Name
Nanatinostat
DrugBank Accession Number
DB15419
Background

Nanatinostat is under investigation in clinical trial NCT00697879 (Safety Study of the Histone Deacetylase Inhibitor, CHR-3996, in Patients With Advanced Solid Tumours).

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 394.41
Monoisotopic: 394.155352039
Chemical Formula
C20H19FN6O2
Synonyms
  • Nanatinostat
External IDs
  • CHR-3996
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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.
DrugInteraction
Integrate drug-drug
interactions in your software
AmbroxolThe risk or severity of methemoglobinemia can be increased when Nanatinostat is combined with Ambroxol.
ArticaineThe risk or severity of methemoglobinemia can be increased when Nanatinostat is combined with Articaine.
BenzocaineThe risk or severity of methemoglobinemia can be increased when Nanatinostat is combined with Benzocaine.
Benzyl alcoholThe risk or severity of methemoglobinemia can be increased when Nanatinostat is combined with Benzyl alcohol.
BupivacaineThe risk or severity of methemoglobinemia can be increased when Nanatinostat is combined with Bupivacaine.
Food Interactions
Not Available

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
YTL7A418KQ
CAS number
1256448-47-1
InChI Key
QRGHOAATPOLDPF-VQFNDLOPSA-N
InChI
InChI=1S/C20H19FN6O2/c21-13-2-4-17-11(5-13)1-3-14(25-17)8-22-18-15-9-27(10-16(15)18)20-23-6-12(7-24-20)19(28)26-29/h1-7,15-16,18,22,29H,8-10H2,(H,26,28)/t15-,16+,18+
IUPAC Name
2-[(1R,5S,6R)-6-{[(6-fluoroquinolin-2-yl)methyl]amino}-3-azabicyclo[3.1.0]hexan-3-yl]-N-hydroxypyrimidine-5-carboxamide
SMILES
ONC(=O)C1=CN=C(N=C1)N1C[C@H]2[C@@H](C1)[C@@H]2NCC1=NC2=CC=C(F)C=C2C=C1

References

General References
Not Available
ChemSpider
26632319
BindingDB
50347385
ChEMBL
CHEMBL1801250
ZINC
ZINC000101424935

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2RecruitingTreatmentEBV Related PTCL, Nos / EBV-associated Lymphomas / EBV-Positive DLBCL, Nos / Epstein Barr Virus Associated Non Hodgkin's Lymphoma / Epstein-Barr Virus+ Associated Post-transplant Lymphoproliferative Disease (EBV+ PTLD) / Epstein-Barr Virus-Associated Lymphoproliferative Disorder1
1CompletedTreatmentSolid Tumors1
1RecruitingBasic ScienceAdvanced Malignant Neoplasm1
1, 2CompletedTreatmentEpstein-Barr virus associated lymphoma / Lymphoproliferative Disorders1
1, 2RecruitingTreatmentEBV-Related Gastric Carcinoma / EBV-Related Leiomyosarcoma / EBV-Related Sarcoma / Epstein-Barr Virus Related Carcinoma / Nasopharyngeal Carcinoma (NPC)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 Solubility0.0734 mg/mLALOGPS
logP1.25ALOGPS
logP0.5Chemaxon
logS-3.7ALOGPS
pKa (Strongest Acidic)8.89Chemaxon
pKa (Strongest Basic)8.24Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area103.27 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity104.15 m3·mol-1Chemaxon
Polarizability40.64 Å3Chemaxon
Number of Rings5Chemaxon
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/MSsplash10-0002-0009000000-6ab97a52d8554368289f
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0096-0139000000-81c7a555840ca994ed5c
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-0009000000-2501c8e8bd0c229cc9a5
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-0009000000-200d3fec29023cd1ebe1
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-03y1-0918000000-b796b007d02b6063b5de
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-1961000000-982f9424366327f5de8f
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 15:28 / Updated at December 01, 2022 11:29