NAV

Fimepinostat

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

Identification

Generic Name
Fimepinostat
DrugBank Accession Number
DB11891
Background

Fimepinostat (CUDC-907) has been used in trials studying the treatment of lymphoma, solid tumors, breast cancer, multiple myeloma, and NUT midline carcinoma, among others.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 508.56
Monoisotopic: 508.164122459
Chemical Formula
C23H24N8O4S
Synonyms
  • 5-pyrimidinecarboxamide, N-hydroxy-2-[[[2-(6-methoxy-3-pyridinyl)-4-(4-morpholinyl)thieno[3,2-d]pyrimidin-6-yl]methyl]methylamino]-
  • N-hydroxy-2-(((2-(6-methoxypyridin-3-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)(methyl)amino)pyrimidine-5-carboxamide
  • PI3K/HDAC inhibitor CUDC-907
External IDs
  • CUDC 907
  • CUDC-907
  • CUDC907
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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
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interactions in your software
AcrivastineThe risk or severity of QTc prolongation can be increased when Acrivastine is combined with Fimepinostat.
AdenosineThe risk or severity of QTc prolongation can be increased when CUDC-907 is combined with Adenosine.
AjmalineThe risk or severity of QTc prolongation can be increased when Ajmaline is combined with Fimepinostat.
AlbuterolThe risk or severity of QTc prolongation can be increased when Salbutamol is combined with Fimepinostat.
AlfuzosinThe risk or severity of QTc prolongation can be increased when Alfuzosin is combined with Fimepinostat.
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Fimepinostat mesylateB618F4630I1401998-36-4Not applicable

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as pyridinylpyrimidines. These are compounds containing a pyridinylpyrimidine skeleton, which consists of a pyridine linked (not fused) to a pyrimidine by a bond.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Diazines
Sub Class
Pyrimidines and pyrimidine derivatives
Direct Parent
Pyridinylpyrimidines
Alternative Parents
Thienopyrimidines / Pyrimidinecarboxamides / 2,3,5-trisubstituted thiophenes / Dialkylarylamines / Alkyl aryl ethers / Aminopyrimidines and derivatives / Pyridines and derivatives / Morpholines / Imidolactams / Heteroaromatic compounds
show 6 more
Substituents
2,3,5-trisubstituted thiophene / Alkyl aryl ether / Amine / Aminopyrimidine / Aromatic heteropolycyclic compound / Azacycle / Carboxylic acid derivative / Dialkyl ether / Dialkylarylamine / Ether
show 18 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
3S9RX35S5X
CAS number
1339928-25-4
InChI Key
JOWXJLIFIIOYMS-UHFFFAOYSA-N
InChI
InChI=1S/C23H24N8O4S/c1-30(23-25-11-15(12-26-23)22(32)29-33)13-16-9-17-19(36-16)21(31-5-7-35-8-6-31)28-20(27-17)14-3-4-18(34-2)24-10-14/h3-4,9-12,33H,5-8,13H2,1-2H3,(H,29,32)
IUPAC Name
N-hydroxy-2-({[2-(6-methoxypyridin-3-yl)-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl}(methyl)amino)pyrimidine-5-carboxamide
SMILES
COC1=CC=C(C=N1)C1=NC(N2CCOCC2)=C2SC(CN(C)C3=NC=C(C=N3)C(=O)NO)=CC2=N1

References

General References
Not Available
PubChem Compound
54575456
PubChem Substance
347828226
ChemSpider
29314960
BindingDB
50188961
ChEMBL
CHEMBL3622533
ZINC
ZINC000073488511
Wikipedia
Phosphoinositide_3-kinase_inhibitor

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentRelapsed and/or Refractory Diffuse Large B-cell Lymphoma Including With Myc Alterations1
2Not Yet RecruitingTreatmentCushing's Disease1
2TerminatedTreatmentDifferentiated Thyroid Cancer (DTC) / Poorly Differentiated and Undifferentiated Thyroid Cancer / Thyroid Neoplasm1
1Active Not RecruitingTreatmentBrain Neoplasm / Lymphoma / Neuroblastoma (NB) / Solid Tumors1
1CompletedTreatmentDouble-expressor Lymphoma (DEL) / Double-hit Lymphoma (DHL) / High-grade B Cell Lymphoma (HGBCL) / Lymphoma / Refractory Diffuse Large B Cell Lymphoma (DLBCL) / Refractory Lymphomas / Relapsed and/or Refractory Diffuse Large B-Cell Lymphoma (DLBCL) / Relapsed Diffuse Large B-cell Lymphoma (DLBCL) / Relapsed Lymphomas / Relapsed or Refractory Lymphoma / Triple-hit Lymphoma (THL)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 Solubility0.0153 mg/mLALOGPS
logP2.59ALOGPS
logP2.78Chemaxon
logS-4.5ALOGPS
pKa (Strongest Acidic)9.24Chemaxon
pKa (Strongest Basic)3.36Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count11Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area138.72 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity145.82 m3·mol-1Chemaxon
Polarizability53.01 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
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/MSsplash10-0a4i-0000190000-5ec3790c788283fb942d
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-056r-0000940000-29d49978dd3d5745a067
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-004i-0000920000-dae9b5d72ce089fb4b40
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-009b-0000900000-a05e1c68ccaaa51e224e
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-004l-0004910000-dcef305e503bebe92052
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-000y-8215910000-73da78b37e826c79c021
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-238.8758999
predicted
DarkChem Lite v0.1.0
[M-H]-206.06041
predicted
DeepCCS 1.0 (2019)
[M+H]+238.7863999
predicted
DarkChem Lite v0.1.0
[M+H]+208.45596
predicted
DeepCCS 1.0 (2019)
[M+Na]+239.1882999
predicted
DarkChem Lite v0.1.0
[M+Na]+214.50652
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 20:57 / Updated at July 18, 2023 22:56