TAK-075 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-075 Free base
- DrugBank Accession Number
- DB18268
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 458.65
Monoisotopic: 458.30456186 - Chemical Formula
- C29H38N4O
- Synonyms
- Pyrazolo(1,5-a)pyrimidine-3-carboxamide, n-(1-ethyl-1-(4-ethylphenyl)propyl)-4,5,6,7-tetrahydro-2,7,7-trimethyl-5-phenyl-, (5r)-
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-075 N9LP5QC07K 667931-33-1 Not applicable
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 4B002AUC52
- CAS number
- 667931-25-1
- InChI Key
- UEEHORXWFOHMHK-XMMPIXPASA-N
- InChI
- InChI=1S/C29H38N4O/c1-7-21-15-17-23(18-16-21)29(8-2,9-3)31-27(34)25-20(4)32-33-26(25)30-24(19-28(33,5)6)22-13-11-10-12-14-22/h10-18,24,30H,7-9,19H2,1-6H3,(H,31,34)/t24-/m1/s1
- IUPAC Name
- (5R)-N-[3-(4-ethylphenyl)pentan-3-yl]-2,7,7-trimethyl-5-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
- SMILES
- CCC1=CC=C(C=C1)C(CC)(CC)NC(=O)C1=C2N[C@H](CC(C)(C)N2N=C1C)C1=CC=CC=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 26336340
- BindingDB
- 50339725
- ChEMBL
- CHEMBL1739917
- ZINC
- ZINC000066114224
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 6.61 Chemaxon pKa (Strongest Acidic) 14 Chemaxon pKa (Strongest Basic) 3.43 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 58.95 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 151.57 m3·mol-1 Chemaxon Polarizability 53.94 Å3 Chemaxon Number of Rings 4 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
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at September 15, 2023 19:43 / Updated at September 28, 2023 05:48