NTP-42
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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
- NTP-42
- DrugBank Accession Number
- DB18302
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 515.53
Monoisotopic: 515.132648353 - Chemical Formula
- C25H23F2N3O5S
- Synonyms
- Benzenesulfonamide, 5-cyano-2-((4'-(difluoromethoxy)(1,1'-biphenyl)-3-yl)oxy)-n-(((1,1-dimethylethyl)amino)carbonyl)-
- N-(tert-butylcarbamoyl)-5-cyano-2-((4'-(difluoromethoxy)-(1,1'-biphenyl)-3-yl)oxy)benzenesulfonamide
- External IDs
- NTP-42
- NTP42
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
- Not Available
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 2057H3EG0S
- CAS number
- 2055599-51-2
- InChI Key
- RIIKDGPBTPECSW-UHFFFAOYSA-N
- InChI
- InChI=1S/C25H23F2N3O5S/c1-25(2,3)29-24(31)30-36(32,33)22-13-16(15-28)7-12-21(22)34-20-6-4-5-18(14-20)17-8-10-19(11-9-17)35-23(26)27/h4-14,23H,1-3H3,(H2,29,30,31)
- IUPAC Name
- 3-tert-butyl-1-(5-cyano-2-{[4'-(difluoromethoxy)-[1,1'-biphenyl]-3-yl]oxy}benzenesulfonyl)urea
- SMILES
- CC(C)(C)NC(=O)NS(=O)(=O)C1=CC(=CC=C1OC1=CC=CC(=C1)C1=CC=C(OC(F)F)C=C1)C#N
References
- General References
- Not Available
- External Links
- ChemSpider
- 68007427
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Completed Treatment Healthy Volunteers (HV) 1 1 Recruiting Treatment 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 logP 5.28 Chemaxon pKa (Strongest Acidic) 5.54 Chemaxon pKa (Strongest Basic) -0.3 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 117.52 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 128.73 m3·mol-1 Chemaxon Polarizability 49.54 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 0 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 22:09 / Updated at September 17, 2023 04:15