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Valemetostat

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

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Identification

Generic Name
Valemetostat
DrugBank Accession Number
DB18314
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 488.03
Monoisotopic: 487.2237843
Chemical Formula
C26H34ClN3O4
Synonyms
  • Ezh1/2 inhibitor ds-3201
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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
Valemetostat tosylate6N79I7X5II1809336-93-3JSBKGJUYSLVFPF-WJQUPPJOSA-N

Categories

Drug Categories
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
60RD0234VE
CAS number
1809336-39-7
InChI Key
SSDRNUPMYCFXGM-UYPAYLBCSA-N
InChI
InChI=1S/C26H34ClN3O4/c1-14-11-15(2)29-25(32)20(14)13-28-24(31)19-12-21(27)23-22(16(19)3)33-26(4,34-23)17-7-9-18(10-8-17)30(5)6/h11-12,17-18H,7-10,13H2,1-6H3,(H,28,31)(H,29,32)/t17-,18-,26-/m0/s1
IUPAC Name
(2R)-7-chloro-N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-2,4-dimethyl-2-[(1r,4R)-4-(dimethylamino)cyclohexyl]-2H-1,3-benzodioxole-5-carboxamide
SMILES
[H][C@@]1(CC[C@@H](CC1)N(C)C)[C@@]1(C)OC2=C(O1)C(C)=C(C=C2Cl)C(=O)NCC1=C(C)C=C(C)NC1=O

References

General References
Not Available
ChemSpider
71115969
ChEMBL
CHEMBL4597193
Wikipedia
Valemetostat

Clinical Trials

Clinical Trials
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PhaseStatusPurposeConditionsCountStart DateWhy Stopped100+ additional columns
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2Active Not RecruitingTreatmentAdult T-Cell Leukemia and Lymphoma (ATL)1somestatusstop reasonjust information to hide
2Active Not RecruitingTreatmentAdult T-Cell Leukemia and Lymphoma (ATL) / Relapsed or Refractory Peripheral T-cell Lymphoma1somestatusstop reasonjust information to hide
2Active Not RecruitingTreatmentB-Cell Lymphoma1somestatusstop reasonjust information to hide
1RecruitingTreatmentAdvanced Solid Tumors1somestatusstop reasonjust information to hide
1RecruitingTreatmentAggressive Variant Prostate Carcinoma / Castration-Resistant Prostate Carcinoma / Metastatic Carcinoma of the Prostate / Metastatic Clear Cell Renal Cell Carcinoma (ccRCC) / Metastatic Malignant Solid Neoplasms / Metastatic Urothelial Carcinoma (UC) / Stage IV Prostate Cancer AJCC v8 / Stage IV Renal Cell Cancer AJCC v8 / Stage IVA Prostate Cancer AJCC v8 / Stage IVB Prostate Cancer AJCC v81somestatusstop reasonjust information to hide

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
logP3.37Chemaxon
pKa (Strongest Acidic)11.7Chemaxon
pKa (Strongest Basic)10.76Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area79.9 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity135.81 m3·mol-1Chemaxon
Polarizability54.04 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
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at September 15, 2023 22:53 / Updated at September 28, 2023 05:48