This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
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Identification
- Generic Name
- S-8510
- DrugBank Accession Number
- DB06504
- Background
S-8510 / SB-737552 is a BZD inverse agonist investigated for the treatment of Alzheimer’s disease and mild to moderate senile dementia. It was being codeveloped by Shionogi and GlaxoSmithKline.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for S-8510 (DB06504)
- Weight
- Average: 242.238
Monoisotopic: 242.080375578 - Chemical Formula
- C12H10N4O2
- Synonyms
- Not Available
- External IDs
- SB-737552
Pharmacology
- Indication
Investigated for use/treatment in alzheimer's disease and dementia.
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Not Available
- Mechanism of action
S-8510 is a BZD partial inverse agonist to the BZD site on the GABA-A receptors in the central nervous system. As an inverse agonist (which as a group elicit CNS effects such as insomnia, agitation, and proconvulsant behaviors), S-8510 functions as a negative modulator of the GABA-A receptor. S-8510, however, is a partial inverse agonist, which means it has a lower affinity for the BZD binding site than do full agonists, and studies in animals have shown that the drug does not induce convulsions or anxiety. 6
Target Actions Organism ATranslocator protein agonistHumans - 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
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as pyranopyridines. These are polycyclic aromatic compounds containing a pyran ring fused to a pyridine ring.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Pyranopyridines
- Sub Class
- Not Available
- Direct Parent
- Pyranopyridines
- Alternative Parents
- Imidazo-[4,5-c]pyridines / Pyridines and derivatives / Isoxazoles / Imidazoles / Heteroaromatic compounds / Oxacyclic compounds / Dialkyl ethers / Azacyclic compounds / Organopnictogen compounds / Organonitrogen compounds show 1 more
- Substituents
- Aromatic heteropolycyclic compound / Azacycle / Azole / Dialkyl ether / Ether / Heteroaromatic compound / Hydrocarbon derivative / Imidazo-[4,5-c]pyridine / Imidazole / Imidazopyridine show 9 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 92SP8RX873
- CAS number
- Not Available
- InChI Key
- ITPFSYAYHHPKRT-UHFFFAOYSA-N
- InChI
- InChI=1S/C12H10N4O2/c1-3-17-6-7-8(1)13-5-10-11(7)15-12(14-10)9-2-4-18-16-9/h2,4-5H,1,3,6H2,(H,14,15)
- IUPAC Name
- 4-(1,2-oxazol-3-yl)-12-oxa-3,5,8-triazatricyclo[7.4.0.0^{2,6}]trideca-1(9),2(6),3,7-tetraene
- SMILES
- C1CC2=C(CO1)C1=C(NC(=N1)C1=NOC=C1)C=N2
References
- General References
- Kawasaki K, Eigyo M, Ikeda M, Kihara T, Koike K, Matsushita A, Murata S, Shiomi T, Takada S, Yasui M: A novel benzodiazepine inverse agonist, S-8510, as a cognitive enhancer. Prog Neuropsychopharmacol Biol Psychiatry. 1996 Nov;20(8):1413-25. [Article]
- Nezasa K, Higaki K, Takeuchi M, Yukawa T, Nakano M: Pharmacokinetics of a novel benzodiazepine partial inverse agonist in the F344 rat, SD rat and B6C3F1 mouse. Xenobiotica. 1998 May;28(5):515-25. doi: 10.1080/004982598239434 . [Article]
- Abe K, Takeyama C, Yoshimura K: Effects of S-8510, a novel benzodiazepine receptor partial inverse agonist, on basal forebrain lesioning-induced dysfunction in rats. Eur J Pharmacol. 1998 Apr 24;347(2-3):145-52. [Article]
- Abe K, Sawada T, Horiuchi M, Yoshimura K: Effects of S-8510, a benzodiazepine receptor partial inverse agonist, on event-related potentials (P300) in monkeys. Psychopharmacology (Berl). 1999 Jan;141(1):71-6. [Article]
- Takada S, Sasatani T, Chomei N, Adachi M, Fujishita T, Eigyo M, Murata S, Kawasaki K, Matsushita A: Synthesis and structure--activity relationships of fused imidazopyridines: a new series of benzodiazepine receptor ligands. J Med Chem. 1996 Jul 5;39(14):2844-51. doi: 10.1021/jm9600609. [Article]
- Alzheimer’s Therapy: GABA Receptor Inverse Agonists [Link]
- External Links
- ChemSpider
- 11187861
- ZINC
- ZINC000006119198
Clinical Trials
- Clinical Trials
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Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.977 mg/mL ALOGPS logP 1.43 ALOGPS logP 0.76 Chemaxon logS -2.4 ALOGPS pKa (Strongest Acidic) 8.75 Chemaxon pKa (Strongest Basic) 4.68 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 76.83 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 73.28 m3·mol-1 Chemaxon Polarizability 24.55 Å3 Chemaxon Number of Rings 4 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 splash10-0006-0090000000-2d48b073661c5939bb1f Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0006-0090000000-11f9461c19006e0a636a Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-0390000000-f7df81d592f9a5ba58e4 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-03fs-0590000000-0564e4c9b4445482a980 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0005-0890000000-c584946bd23b85bc9125 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-006t-0910000000-636a17922904940b0ab8 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Targets
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- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Yes
- Actions
- Agonist
- General Function
- Can bind protoporphyrin IX and may play a role in the transport of porphyrins and heme (By similarity). Promotes the transport of cholesterol across mitochondrial membranes and may play a role in lipid metabolism (PubMed:24814875), but its precise physiological role is controversial. It is apparently not required for steroid hormone biosynthesis. Was initially identified as peripheral-type benzodiazepine receptor; can also bind isoquinoline carboxamides (PubMed:1847678)
- Specific Function
- androgen binding
- Gene Name
- TSPO
- Uniprot ID
- P30536
- Uniprot Name
- Translocator protein
- Molecular Weight
- 18827.81 Da
References
- Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
Drug created at March 19, 2008 16:35 / Updated at October 03, 2024 04:25