SB-773812
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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-773812
- DrugBank Accession Number
- DB16042
- Background
SB-773812 is under investigation in clinical trial NCT00259870 (SB-773812 Administered in Adults With Schizophrenia).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 472.0
Monoisotopic: 471.1271072 - Chemical Formula
- C25H26ClNO4S
- Synonyms
- Not Available
- External IDs
- SB-737050-A
- SB-773812
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
- ZNP5SNF9FY
- CAS number
- 630407-66-8
- InChI Key
- HIBWHHQXUSKNOV-UHFFFAOYSA-N
- InChI
- InChI=1S/C25H26ClNO4S/c1-27-13-11-19-15-24(30-2)25(16-20(19)12-14-27)32(28,29)23-9-7-22(8-10-23)31-17-18-3-5-21(26)6-4-18/h3-10,15-16H,11-14,17H2,1-2H3
- IUPAC Name
- 7-{4-[(4-chlorophenyl)methoxy]benzenesulfonyl}-8-methoxy-3-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
- SMILES
- COC1=C(C=C2CCN(C)CCC2=C1)S(=O)(=O)C1=CC=C(OCC2=CC=C(Cl)C=C2)C=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 9642239
- ZINC
- ZINC000034582095
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Schizophrenia 1 1 Completed Diagnostic Schizophrenia 1 1 Completed Treatment Schizophrenia 3
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 0.000289 mg/mL ALOGPS logP 4.57 ALOGPS logP 5.21 Chemaxon logS -6.2 ALOGPS pKa (Strongest Basic) 7.59 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 55.84 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 128.54 m3·mol-1 Chemaxon Polarizability 50.64 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes 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 splash10-00di-0200900000-2ef3b4944d7d8ef42091 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0089-0190600000-d895220ffa6f3d1eff0f Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-006x-0930700000-23c63098c2a6299b5170 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-9306200000-6f992ea769cf6d09ea2c Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-004i-2802900000-e79e0a931f6c9c2b1f46 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-9202000000-32096e1361a81d587196 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 18:03 / Updated at December 20, 2020 03:35