NAV

Tuspetinib

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

Identification

Generic Name
Tuspetinib
DrugBank Accession Number
DB15343
Background

Tuspetinib (HM-43239) is under investigation in clinical trial NCT03850574 (Clinical Trial to Evaluate the Safety, Tolerability, Pharmacokinetics and Pharmacodynamics of HM43239 in Patients With Relapsed or Refractory Acute Myeloid Leukemia).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 501.08
Monoisotopic: 500.2455228
Chemical Formula
C29H33ClN6
Synonyms
  • 2-Pyrimidinamine, 5-chloro-N-(3-cyclopropyl-5-(((3R,5S)-3,5-dimethyl-1-piperazinyl)methyl)phenyl)-4-(6-methyl-1H-indol-3-yl)-, rel-
  • 5-Chloro-N-(3-cyclopropyl-5-(((3R,5S)-3,5-dimethylpiperazine-1-yl) methyl) phenyl)-4-(6-methyl-1hindol-3-yl) pyrimidin-2-amine
External IDs
  • HM-43239
  • HM43239
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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

Products

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Product Ingredients
IngredientUNIICASInChI Key
Tuspetinib monohydrate1YT25M37WR2758339-04-5ZBXHRUUVJWPXCW-AQDIUKAZSA-N

Categories

Drug Categories
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
C0WUS7XXE9
CAS number
Not Available
InChI Key
FZLSDZZNPXXBBB-KDURUIRLSA-N
InChI
InChI=1S/C29H33ClN6/c1-17-4-7-24-25(12-31-27(24)8-17)28-26(30)13-32-29(35-28)34-23-10-20(9-22(11-23)21-5-6-21)16-36-14-18(2)33-19(3)15-36/h4,7-13,18-19,21,31,33H,5-6,14-16H2,1-3H3,(H,32,34,35)/t18-,19+
IUPAC Name
5-chloro-N-(3-cyclopropyl-5-{[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl}phenyl)-4-(6-methyl-1H-indol-3-yl)pyrimidin-2-amine
SMILES
C[C@H]1CN(CC2=CC(=CC(NC3=NC=C(Cl)C(=N3)C3=CNC4=C3C=CC(C)=C4)=C2)C2CC2)C[C@@H](C)N1

References

General References
Not Available
ChemSpider
75531294
BindingDB
476700

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1, 2RecruitingTreatmentRelapsed or Refractory Acute Myeloid Leukemia (AML)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 Solubility0.00188 mg/mLALOGPS
logP5.51ALOGPS
logP6.44Chemaxon
logS-5.4ALOGPS
pKa (Strongest Acidic)13.22Chemaxon
pKa (Strongest Basic)9.42Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area68.87 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity147.38 m3·mol-1Chemaxon
Polarizability56.91 Å3Chemaxon
Number of Rings6Chemaxon
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/MSsplash10-0udi-0000090000-e5aff7af5585af928e20
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-0300490000-28d55240a293ddbb06cd
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-0000900000-ce0043e0931842ba6beb
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0k9i-0313920000-e2d187a8a70f5edf37a2
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-001j-7000900000-02f1bba6eddb918b1283
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-9000200000-30a309e560243552a05d
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 15:17 / Updated at September 28, 2023 05:47