F-15599
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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
- F-15599
- DrugBank Accession Number
- DB16936
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 394.85
Monoisotopic: 394.1371953 - Chemical Formula
- C19H21ClF2N4O
- Synonyms
- (3-chloro-4-fluorophenyl)-(4-fluoro-4-(((5-methylpyrimidin-2-ylmethyl)amino)methyl)piperidin-1-yl)methanone
- 3-chloro-4-fluorophenyl-(4-fluoro-4-(((5-methylpyrimidin-2-ylmethyl)amino)methyl)piperidin-1yl)methanone
- 3-Chloro-4-Fluorophenyl-[4-Fluoro-4-[[(5-Methylpyrimidin-2-ylmethyl)Amino]Methyl]Piperidin-1yl]Methanone
- 4-piperidinemethanamine, 1-(3-chloro-4-fluorobenzoyl)-4-fluoro-n-((5-methyl-2-pyrimidinyl)methyl)-
- F15599
- Methanone, (3-chloro-4-fluorophenyl)(4-fluoro-4-((((5-methyl-2-pyrimidinyl)methyl)amino)methyl)-1-piperidinyl)-
- NLX-101
- NLX101
- External IDs
- F-15,599
- F-15599
- NLX-101
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
- 83481Y1YCX
- CAS number
- 635323-95-4
- InChI Key
- WAAXKNFGOFTGLP-UHFFFAOYSA-N
- InChI
- InChI=1S/C19H21ClF2N4O/c1-13-9-24-17(25-10-13)11-23-12-19(22)4-6-26(7-5-19)18(27)14-2-3-16(21)15(20)8-14/h2-3,8-10,23H,4-7,11-12H2,1H3
- IUPAC Name
- {[1-(3-chloro-4-fluorobenzoyl)-4-fluoropiperidin-4-yl]methyl}[(5-methylpyrimidin-2-yl)methyl]amine
- SMILES
- CC1=CN=C(CNCC2(F)CCN(CC2)C(=O)C2=CC=C(F)C(Cl)=C2)N=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 9916065
- BindingDB
- 50476734
- ChEMBL
- CHEMBL230963
- ZINC
- ZINC000028711625
- Wikipedia
- F-15,599
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 Water Solubility 0.0336 mg/mL ALOGPS logP 2 ALOGPS logP 2.31 Chemaxon logS -4.1 ALOGPS pKa (Strongest Basic) 6.23 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 58.12 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 100.43 m3·mol-1 Chemaxon Polarizability 38.43 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No 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 13, 2022 22:15 / Updated at December 01, 2022 11:32