Valemetostat
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Valemetostat
- DrugBank Accession Number
- DB18314
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 488.03
Monoisotopic: 487.2237843 - Chemical Formula
- C26H34ClN3O4
- Synonyms
- Ezh1/2 inhibitor ds-3201
Pharmacology
- Indication
Not Available
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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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
- Product Ingredients
Ingredient UNII CAS InChI Key Valemetostat tosylate 6N79I7X5II 1809336-93-3 JSBKGJUYSLVFPF-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
- External Links
- ChemSpider
- 71115969
- ChEMBL
- CHEMBL4597193
- Wikipedia
- Valemetostat
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Active Not Recruiting Treatment Adult T-Cell Leukemia and Lymphoma (ATL) 1 2 Active Not Recruiting Treatment Adult T-Cell Leukemia and Lymphoma (ATL) / Relapsed or Refractory Peripheral T-cell Lymphoma 1 2 Active Not Recruiting Treatment B-Cell Lymphoma 1 1 Recruiting Treatment Advanced Solid Tumors 1 1 Recruiting Treatment Aggressive 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 v8 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
Property Value Source logP 3.37 Chemaxon pKa (Strongest Acidic) 11.7 Chemaxon pKa (Strongest Basic) 10.76 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 79.9 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 135.81 m3·mol-1 Chemaxon Polarizability 54.04 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - 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