Bomedemstat
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- Bomedemstat
- DrugBank Accession Number
- DB17234
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 519.625
Monoisotopic: 519.275801526 - Chemical Formula
- C28H34FN7O2
- Synonyms
- Benzamide, n-((1s)-4-(((1r,2s)-2-(4-fluorophenyl)cyclopropyl)amino)-1-((4-methyl-1-piperazinyl)carbonyl)butyl)-4-(1h-1,2,3-triazol-1-yl)-
- N-((1s)-4-(((1r,2s)-2-(4-fluorophenyl)cyclopropyl)amino)-1-((4-methyl-1-piperazinyl)carbonyl)butyl)-4-(1h-1,2,3-triazol-1-yl)benzamide
- External IDs
- IMG-7289
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- 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
- 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 Bomedemstat ditosylate 2PYF2U9JNF 1990504-72-7 Not applicable
Categories
- Drug Categories
- Not Available
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Y2T4ALDEAT
- CAS number
- 1990504-34-1
- InChI Key
- KQKBMHGOHXOHTD-KKUQBAQOSA-N
- InChI
- InChI=1S/C28H34FN7O2/c1-34-15-17-35(18-16-34)28(38)25(3-2-12-30-26-19-24(26)20-4-8-22(29)9-5-20)32-27(37)21-6-10-23(11-7-21)36-14-13-31-33-36/h4-11,13-14,24-26,30H,2-3,12,15-19H2,1H3,(H,32,37)/t24-,25-,26+/m0/s1
- IUPAC Name
- N-[(2S)-5-{[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino}-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-4-(1H-1,2,3-triazol-1-yl)benzamide
- SMILES
- CN1CCN(CC1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1C1=CC=C(F)C=C1)NC(=O)C1=CC=C(C=C1)N1C=CN=N1
References
- General References
- Not Available
- External Links
- BindingDB
- 425083
- ChEMBL
- CHEMBL4297289
- Wikipedia
- Bomedemstat
Clinical Trials
- Clinical Trials
Clinical Trial & Rare Diseases Add-on Data Package
Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package Phase Status Purpose Conditions Count Start Date Why Stopped 100+ additional columns Unlock 175K+ rows when you subscribe.View sample data3 Recruiting Treatment Essential Thrombocythemia (ET) 2 somestatus stop reason just information to hide 3 Recruiting Treatment Essential Thrombocythemia (ET) / Myelofibrosis / Polycythemia Vera (PV) / Post Polycythemia Vera Myelofibrosis / Post-essential Thrombocythemia Myelofibrosis (Post-ET MF) / Primary Myelofibrosis (PMF) 1 somestatus stop reason just information to hide 2 Active Not Recruiting Treatment Essential Thrombocythemia (ET) / Polycythemia Vera (PV) 1 somestatus stop reason just information to hide 2 Active Not Recruiting Treatment Polycythemia Vera (PV) 1 somestatus stop reason just information to hide 2 Completed Treatment Essential Thrombocythemia (ET) 1 somestatus stop reason just 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
Property Value Source Water Solubility 0.0376 mg/mL ALOGPS logP 1.61 ALOGPS logP 2.25 Chemaxon logS -4.1 ALOGPS pKa (Strongest Acidic) 15.22 Chemaxon pKa (Strongest Basic) 9.34 Chemaxon Physiological Charge 2 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 95.39 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 144.48 m3·mol-1 Chemaxon Polarizability 56.5 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at November 29, 2022 16:59 / Updated at October 29, 2024 18:07