NAV

Pimasertib

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

Identification

Generic Name
Pimasertib
DrugBank Accession Number
DB14904
Background

Pimasertib is under investigation in clinical trial NCT01378377 (Combination Trial of Pimasertib (MSC1936369B) With Temsirolimus).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 431.206
Monoisotopic: 431.01421
Chemical Formula
C15H15FIN3O3
Synonyms
  • N-[(2S)-2,3-dihydroxypropyl]-3-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide
  • Pimasertib
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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
TargetActionsOrganism
UMitogen-activated protein kinase kinase (MAPKK)
inhibitor
Humans
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

Products

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Product Ingredients
IngredientUNIICASInChI Key
Pimasertib hydrochloride6GS1ULF5HV1236361-78-6HIEXZUXKTABHCP-PPHPATTJSA-N

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
6ON9RK82AL
CAS number
1236699-92-5
InChI Key
VIUAUNHCRHHYNE-JTQLQIEISA-N
InChI
InChI=1S/C15H15FIN3O3/c16-12-5-9(17)1-2-13(12)20-14-7-18-4-3-11(14)15(23)19-6-10(22)8-21/h1-5,7,10,20-22H,6,8H2,(H,19,23)/t10-/m0/s1
IUPAC Name
N-[(2S)-2,3-dihydroxypropyl]-3-[(2-fluoro-4-iodophenyl)amino]pyridine-4-carboxamide
SMILES
OC[C@@H](O)CNC(=O)C1=C(NC2=C(F)C=C(I)C=C2)C=NC=C1

References

General References
Not Available
ChemSpider
24747378
BindingDB
50014412
ChEBI
94793
ChEMBL
CHEMBL2107832
ZINC
ZINC000038226009
PDBe Ligand
QOA
PDB Entries
7m0w

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentN-Ras Mutated Locally Advanced or Metastasis Malignant Cutaneous Melanoma1
2CompletedTreatmentOvarian Cancer1
2TerminatedTreatmentAcute Myeloid Leukemia / Neoplasms, Hematologic1
1CompletedNot AvailableSolid Tumors1
1CompletedTreatmentBreast Cancer / Colorectal Cancer / Locally Advanced Solid Neoplasm / Melanoma / Metastatic Solid Neoplasm / Non-Small Cell Lung Cancer (NSCLC)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 Solubility0.0986 mg/mLALOGPS
logP1.17ALOGPS
logP2.32Chemaxon
logS-3.6ALOGPS
pKa (Strongest Acidic)13.76Chemaxon
pKa (Strongest Basic)3.72Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area94.48 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity92.2 m3·mol-1Chemaxon
Polarizability36.39 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/MSsplash10-0006-0009100000-e13437d9f3c9c36ab8fb
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-1009400000-866c70daf819526619e1
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-0009000000-aef1332d21185c34fd4d
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00dv-3928100000-547b1f31d2d4855b74fe
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-05mk-0109000000-3bee5b3a63313fe661e7
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-0900000000-fa605f98f82fef267667
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Targets

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Details1. Mitogen-activated protein kinase kinase (MAPKK) (Protein Group)
Kind
Protein group
Organism
Humans
Pharmacological action
Unknown
Actions
Inhibitor
General Function
Receptor signaling protein tyrosine phosphatase activity
Specific Function
Dual specificity protein kinase which acts as an essential component of the MAP kinase signal transduction pathway. Binding of extracellular ligands such as growth factors, cytokines and hormones t...
Components:
NameUniProt ID
Dual specificity mitogen-activated protein kinase kinase 1Q02750
Dual specificity mitogen-activated protein kinase kinase 2P36507
Dual specificity mitogen-activated protein kinase kinase 3P46734
Dual specificity mitogen-activated protein kinase kinase 4P45985
Dual specificity mitogen-activated protein kinase kinase 5Q13163
Dual specificity mitogen-activated protein kinase kinase 6P52564
Dual specificity mitogen-activated protein kinase kinase 7O14733
References
  1. de Weger VA, de Jonge M, Langenberg MHG, Schellens JHM, Lolkema M, Varga A, Demers B, Thomas K, Hsu K, Tuffal G, Goodstal S, Mace S, Deutsch E: A phase I study of the HDM2 antagonist SAR405838 combined with the MEK inhibitor pimasertib in patients with advanced solid tumours. Br J Cancer. 2019 Feb;120(3):286-293. doi: 10.1038/s41416-018-0355-8. Epub 2018 Dec 26. [Article]

Drug created at May 20, 2019 14:33 / Updated at September 28, 2023 05:47