TAK-603
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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-603
- DrugBank Accession Number
- DB17892
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 478.505
Monoisotopic: 478.185234573 - Chemical Formula
- C25H26N4O6
- Synonyms
- 3-quinolinecarboxylic acid, 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-(1h-1,2,4-triazol-1-ylmethyl)-, ethyl ester
- Ethyl 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-(1,2,4-triazol-1-ylmethyl)quinoline-3-carboxylate
- TAK-603
- External IDs
- TAK-603
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
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- W6RZK26FCB
- CAS number
- 158146-85-1
- InChI Key
- CLQRMSBSMHXMMC-UHFFFAOYSA-N
- InChI
- InChI=1S/C25H26N4O6/c1-6-35-25(30)24-18(12-29-14-26-13-27-29)28-17-11-22(34-5)21(33-4)10-16(17)23(24)15-7-8-19(31-2)20(9-15)32-3/h7-11,13-14H,6,12H2,1-5H3
- IUPAC Name
- ethyl 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[(1H-1,2,4-triazol-1-yl)methyl]quinoline-3-carboxylate
- SMILES
- CCOC(=O)C1=C(C2=CC=C(OC)C(OC)=C2)C2=CC(OC)=C(OC)C=C2N=C1CN1C=NC=N1
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0260309
- ChemSpider
- 135713
- ChEMBL
- CHEMBL439817
Clinical Trials
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 3.06 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 106.82 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 139.91 m3·mol-1 Chemaxon Polarizability 49.61 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 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 June 06, 2023 06:15 / Updated at June 08, 2023 19:01