4'-Thio-fac
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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
- 4'-Thio-fac
- DrugBank Accession Number
- DB16071
- Background
4'-Thio-fac is under investigation in clinical trial NCT02661542 (Study of FF-10502-01 in Patients With Advanced Solid Tumors and Lymphomas).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 261.27
Monoisotopic: 261.058340595 - Chemical Formula
- C9H12FN3O3S
- Synonyms
- 4-Amino-1-[(2R,3S,4S,5R)-3-Fluoro-4-Hydroxy-5-(Hydroxymethyl)Tetrahydrothiophen-2-Yl] Pyrimidin-2(1H)-One
- External IDs
- FF 10502
- FF-10502
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
- R5B1HX1HUY
- CAS number
- 184302-49-6
- InChI Key
- NIDPJRZOVFIBQB-PXBUCIJWSA-N
- InChI
- InChI=1S/C9H12FN3O3S/c10-6-7(15)4(3-14)17-8(6)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)/t4-,6+,7-,8-/m1/s1
- IUPAC Name
- 4-amino-1-[(2R,3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-1,2-dihydropyrimidin-2-one
- SMILES
- NC1=NC(=O)N(C=C1)[C@@H]1S[C@H](CO)[C@@H](O)[C@@H]1F
References
- General References
- Not Available
- External Links
- ChemSpider
- 8078984
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1, 2 Completed Treatment Lymphoma / Solid Tumors 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 Water Solubility 9.18 mg/mL ALOGPS logP -1.2 ALOGPS logP -1.6 Chemaxon logS -1.4 ALOGPS pKa (Strongest Acidic) 13.2 Chemaxon pKa (Strongest Basic) 4.21 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 99.15 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 59.2 m3·mol-1 Chemaxon Polarizability 23.86 Å3 Chemaxon Number of Rings 2 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
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-03di-0940000000-3691faf481310aa5f4e1 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-03di-0490000000-26c1c6f14971472f3afb Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-03di-0920000000-2577668343d655bd640e Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-014i-6890000000-e37dbbd074c962028b0b Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0a4i-0900000000-c532fdf56c8b777cad53 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-00kf-9310000000-3ea66d48a7023da71316 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 December 15, 2020 18:04 / Updated at December 01, 2022 11:30