SB-649868
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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
- SB-649868
- DrugBank Accession Number
- DB14822
- Background
SB-649868 is under investigation in clinical trial NCT01030939 (Study to Investigate Safety, Tolerability, Pharmacokinetics and Cardiac Function After Repeat Doses of SB-649868 in Healthy-volunteers).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 477.55
Monoisotopic: 477.152240982 - Chemical Formula
- C26H24FN3O3S
- Synonyms
- Not Available
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
- 1L1V1K2M4V
- CAS number
- 380899-24-1
- InChI Key
- ZJXIUGNEAIHSBI-IBGZPJMESA-N
- InChI
- InChI=1S/C26H24FN3O3S/c1-16-29-23(24(34-16)17-8-10-18(27)11-9-17)26(32)30-13-3-2-5-19(30)15-28-25(31)21-6-4-7-22-20(21)12-14-33-22/h4,6-12,14,19H,2-3,5,13,15H2,1H3,(H,28,31)/t19-/m0/s1
- IUPAC Name
- N-{[(2S)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl}-1-benzofuran-4-carboxamide
- SMILES
- CC1=NC(C(=O)N2CCCC[C@H]2CNC(=O)C2=CC=CC3=C2C=CO3)=C(S1)C1=CC=C(F)C=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 25069706
- BindingDB
- 50417257
- ChEMBL
- CHEMBL1272307
- Wikipedia
- SB-649868
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Sleep Initiation and Maintenance Disorders 1 1 Completed Treatment Sleep disorders and disturbances 1 1 Completed Treatment Sleep Initiation and Maintenance Disorders 3 1 Withdrawn Treatment Insomnia 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 0.0117 mg/mL ALOGPS logP 4.64 ALOGPS logP 4.17 Chemaxon logS -4.6 ALOGPS pKa (Strongest Acidic) 15 Chemaxon pKa (Strongest Basic) 0.45 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 75.44 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 128.06 m3·mol-1 Chemaxon Polarizability 49.12 Å3 Chemaxon Number of Rings 5 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 MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-014i-0019300000-9a416f854b3b84b3de53 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-003r-0962500000-fa65a55fe6e59e328abe Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-00os-0858900000-e114139da36b268b7010 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-00mp-1802900000-707e1f0fd669e34c1919 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-00te-3921200000-30712a6acf18248d4766 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-2940200000-601cabc56b7a8eaf367d 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 May 20, 2019 14:29 / Updated at June 12, 2020 16:53