NNI-351
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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
- NNI-351
- DrugBank Accession Number
- DB18048
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 449.55
Monoisotopic: 449.16855975 - Chemical Formula
- C24H24FN5OS
- Synonyms
- 1H-1,4-DIAZEPINE-1-CARBOTHIOAMIDE, 4-(3-CYANO-6-ETHOXY-2-QUINOLINYL)-N-(2-FLUOROPHENYL)HEXAHYDRO-
- 4-(3-CYANO-6-ETHOXY-2-QUINOLINYL)-N-(2-FLUOROPHENYL)HEXAHYDRO-1H-1,4-DIAZEPINE-1-CARBOTHIOAMIDE
- 4-(3-cyano-6-ethoxyquinolin-2-yl)-N- (2-fluorophenyl)-1,4-diazepane-1-carbothiomide
- External IDs
- NNI 351
- NNI-351
- NNI351
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
- 97LG4X5P2E
- CAS number
- 929607-23-8
- InChI Key
- RQXUPDSAFGWKMO-UHFFFAOYSA-N
- InChI
- InChI=1S/C24H24FN5OS/c1-2-31-19-8-9-21-17(15-19)14-18(16-26)23(27-21)29-10-5-11-30(13-12-29)24(32)28-22-7-4-3-6-20(22)25/h3-4,6-9,14-15H,2,5,10-13H2,1H3,(H,28,32)
- IUPAC Name
- 4-(3-cyano-6-ethoxyquinolin-2-yl)-N-(2-fluorophenyl)-1,4-diazepane-1-carbothioamide
- SMILES
- CCOC1=CC2=CC(C#N)=C(N=C2C=C1)N1CCCN(CC1)C(=S)NC1=CC=CC=C1F
References
- General References
- Not Available
- External Links
- ChemSpider
- 17594951
- ZINC
- ZINC000116198289
- Wikipedia
- NNI-351
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 4.96 Chemaxon pKa (Strongest Acidic) 13.88 Chemaxon pKa (Strongest Basic) 2.63 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 64.42 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 130.18 m3·mol-1 Chemaxon Polarizability 48.14 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 No 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 08, 2023 20:01 / Updated at September 12, 2023 18:33