Tirasemtiv
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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
- Tirasemtiv
- DrugBank Accession Number
- DB12209
- Background
Tirasemtiv has been used in trials studying the treatment of Myasthenia Gravis, Intermittent Claudication, and Amyotrophic Lateral Sclerosis.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 230.271
Monoisotopic: 230.116761087 - Chemical Formula
- C12H14N4O
- Synonyms
- Tirasemtiv
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism ATroponin C, skeletal muscle modulatorHumans - 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
Categories
- Drug Categories
- Not Available
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as imidazopyrazines. These are organic heteropolycyclic compounds containing a pyrazine ring fused to an imidazole ring. These also include hydrogenated derivatives of the imidazopyrazine moiety. Imidazole is 5-membered ring consisting of three carbon atoms, and two nitrogen centers at the 1- and 3-positions. Pyrazine is a 6-membered ring consisting of six carbon atoms and two nitrogen centers at ring positions 1 and 4.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Imidazopyrazines
- Sub Class
- Not Available
- Direct Parent
- Imidazopyrazines
- Alternative Parents
- Pyrazines / N-substituted imidazoles / Heteroaromatic compounds / Ureas / Azacyclic compounds / Acetylides / Organooxygen compounds / Organonitrogen compounds / Organic oxides / Hydrocarbon derivatives
- Substituents
- Acetylide / Aromatic heteropolycyclic compound / Azacycle / Azole / Heteroaromatic compound / Hydrocarbon derivative / Imidazole / Imidazopyrazine / N-substituted imidazole / Organic nitrogen compound
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- G8WSM7R635
- CAS number
- 1005491-05-3
- InChI Key
- RSQGZEAXODVTOL-UHFFFAOYSA-N
- InChI
- InChI=1S/C12H14N4O/c1-4-8-7-13-10-11(14-8)16(12(17)15-10)9(5-2)6-3/h1,7,9H,5-6H2,2-3H3,(H,13,15,17)
- IUPAC Name
- 6-ethynyl-1-(pentan-3-yl)-1H,2H,3H-imidazo[4,5-b]pyrazin-2-one
- SMILES
- CCC(CC)N1C(=O)NC2=NC=C(N=C12)C#C
References
- General References
- Not Available
- External Links
- PubChem Compound
- 23729157
- PubChem Substance
- 347828491
- ChemSpider
- 30790768
- BindingDB
- 50316148
- ChEMBL
- CHEMBL3039529
- ZINC
- ZINC000095627912
- PDBe Ligand
- W97
- PDB Entries
- 7kaa
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 Completed Treatment Amyotrophic Lateral Sclerosis (ALS) 2 somestatus stop reason just information to hide 2 Completed Treatment Amyotrophic Lateral Sclerosis (ALS) 4 somestatus stop reason just information to hide 2 Completed Treatment Intermittent Claudication / Peripheral Arterial Disease (PAD) 1 somestatus stop reason just information to hide 2 Terminated Treatment Myasthenia Gravis 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 0.142 mg/mL ALOGPS logP 1.3 ALOGPS logP 2.3 Chemaxon logS -3.2 ALOGPS pKa (Strongest Acidic) 10.42 Chemaxon pKa (Strongest Basic) -2 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 58.12 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 62.44 m3·mol-1 Chemaxon Polarizability 24.23 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-0lk9-8970000000-b964ff18ec07cf2fb260 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-001i-0090000000-a6d2ec763e8cf0ba9399 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-03di-0920000000-b8f4aeb0f3d6964b8867 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-0290000000-75c20559cb8cbae8393f Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0005-6910000000-188d73df690e3b084919 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0ufu-2960000000-3df27475793d6883c4a9 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0fsl-6900000000-6e3b2c18747a14e4c233 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 163.166415 predictedDarkChem Lite v0.1.0 [M-H]- 153.47908 predictedDeepCCS 1.0 (2019) [M+H]+ 164.046315 predictedDarkChem Lite v0.1.0 [M+H]+ 155.83708 predictedDeepCCS 1.0 (2019) [M+Na]+ 161.93024 predictedDeepCCS 1.0 (2019)
Targets
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1. DetailsTroponin C, skeletal muscle
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Yes
- Actions
- Modulator
- General Function
- Troponin is the central regulatory protein of striated muscle contraction. Tn consists of three components: Tn-I which is the inhibitor of actomyosin ATPase, Tn-T which contains the binding site for tropomyosin and Tn-C. The binding of calcium to Tn-C abolishes the inhibitory action of Tn on actin filaments
- Specific Function
- calcium ion binding
- Gene Name
- TNNC2
- Uniprot ID
- P02585
- Uniprot Name
- Troponin C, skeletal muscle
- Molecular Weight
- 18121.895 Da
References
- Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
Drug created at October 20, 2016 21:36 / Updated at August 27, 2024 19:15