TAK-418 free base
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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
- TAK-418 free base
- DrugBank Accession Number
- DB16939
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 320.45
Monoisotopic: 320.155849195 - Chemical Formula
- C17H24N2O2S
- Synonyms
- 5-((1R,2R)-2-((Cyclopropylmethyl)amino)cyclopropyl)-N-(tetrahydro-2H-pyran-4-yl)thiophene-3-carboxamide
- External IDs
- TAK-418
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 TAK-418 LVM0PK6IHG 1818252-53-7 LEEWMGOHGNRDKC-CTHHTMFSSA-N
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- N9N6RK0CBN
- CAS number
- 1818252-52-6
- InChI Key
- QZNGFWQWWSECMG-HUUCEWRRSA-N
- InChI
- InChI=1S/C17H24N2O2S/c20-17(19-13-3-5-21-6-4-13)12-7-16(22-10-12)14-8-15(14)18-9-11-1-2-11/h7,10-11,13-15,18H,1-6,8-9H2,(H,19,20)/t14-,15-/m1/s1
- IUPAC Name
- 5-[(1R,2R)-2-[(cyclopropylmethyl)amino]cyclopropyl]-N-(oxan-4-yl)thiophene-3-carboxamide
- SMILES
- O=C(NC1CCOCC1)C1=CSC(=C1)[C@@H]1C[C@H]1NCC1CC1
References
- General References
- Not Available
- External Links
- ChemSpider
- 58917447
- BindingDB
- 50153586
- ChEMBL
- CHEMBL3775474
- ZINC
- ZINC000653743780
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Completed Other Healthy Volunteers (HV) 1 1 Terminated Other Coronavirus Disease 2019 (COVID‑19) / Healthy Volunteers (HV) 1 1 Terminated Other Healthy Volunteers (HV) 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 Water Solubility 0.0142 mg/mL ALOGPS logP 2.27 ALOGPS logP 1.5 Chemaxon logS -4.4 ALOGPS pKa (Strongest Acidic) 15.14 Chemaxon pKa (Strongest Basic) 9.66 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 50.36 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 87.81 m3·mol-1 Chemaxon Polarizability 36.48 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at September 14, 2022 15:08 / Updated at September 28, 2023 05:47