Progabid

Из Википедије, слободне енциклопедије
Progabid
Klinički podaci
Robne marke Gabren, Gabrene
AHFS/Drugs.com Monografija
Identifikatori
CAS broj 62666-20-0
ATC kod N03AG05
PubChem[1][2] 5361323
DrugBank DB00837
ChemSpider[3] 4514729
ChEMBL[4] CHEMBL287631 YesY
Hemijski podaci
Formula C17H16ClFN2O2 
Mol. masa 334,773
SMILES eMolekuli & PubHem
Fizički podaci
Tačka topljenja 133-135 °C (-78 °F)
Farmakokinetički podaci
Poluvreme eliminacije 4 h
Farmakoinformacioni podaci
Trudnoća  ?
Pravni status

Progabid je organsko jedinjenje, koje sadrži 17 atoma ugljenika i ima molekulsku masu od 334,773 Da.[5][6][7]

Osobine[уреди]

Osobina Vrednost
Broj akceptora vodonika 3
Broj donora vodonika 2
Broj rotacionih veza 6
Particioni koeficijent[8] (ALogP) 2,0
Rastvorljivost[9] (logS, log(mol/L)) -5,5
Polarna površina[10] (PSA, Å2) 72,2

Reference[уреди]

  1. ^ Li Q, Cheng T, Wang Y, Bryant SH (2010). „PubChem as a public resource for drug discovery.“. Drug Discov Today 15 (23-24): 1052-7. DOI:10.1016/j.drudis.2010.10.003. PMID 20970519.  edit
  2. ^ Evan E. Bolton, Yanli Wang, Paul A. Thiessen, Stephen H. Bryant (2008). „Chapter 12 PubChem: Integrated Platform of Small Molecules and Biological Activities“. Annual Reports in Computational Chemistry 4: 217-241. DOI:10.1016/S1574-1400(08)00012-1. 
  3. ^ Hettne KM, Williams AJ, van Mulligen EM, Kleinjans J, Tkachenko V, Kors JA. (2010). „Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining“. J Cheminform 2 (1): 3. DOI:10.1186/1758-2946-2-3. PMID 20331846.  edit
  4. ^ Gaulton A, Bellis LJ, Bento AP, Chambers J, Davies M, Hersey A, Light Y, McGlinchey S, Michalovich D, Al-Lazikani B, Overington JP. (2012). „ChEMBL: a large-scale bioactivity database for drug discovery“. Nucleic Acids Res 40 (Database issue): D1100-7. DOI:10.1093/nar/gkr777. PMID 21948594.  edit
  5. ^ Bartholini G, Scatton B, Zivkovic B, Lloyd KG: GABA receptor agonists and extrapyramidal motor function: therapeutic implications for Parkinson's disease. Adv Neurol. 1987;45:79-83. PMID 3030072
  6. ^ Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS (2011). „DrugBank 3.0: a comprehensive resource for omics research on drugs“. Nucleic Acids Res. 39 (Database issue): D1035-41. DOI:10.1093/nar/gkq1126. PMC 3013709. PMID 21059682.  edit
  7. ^ Nucleic Acids Res (2008). „DrugBank: a knowledgebase for drugs, drug actions and drug targets“. Nucleic acids research 36 (Database issue): D901-6. DOI:10.1093/nar/gkm958. PMC 2238889. PMID 18048412.  edit
  8. ^ Ghose, A.K., Viswanadhan V.N., and Wendoloski, J.J. (1998). „Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragment Methods: An Analysis of AlogP and CLogP Methods“. J. Phys. Chem. A 102: 3762-3772. DOI:10.1021/jp980230o. 
  9. ^ Tetko IV, Tanchuk VY, Kasheva TN, Villa AE. (2001). „Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices“. Chem Inf. Comput. Sci. 41: 1488-1493. DOI:10.1021/ci000392t. PMID 11749573.  edit
  10. ^ Ertl P., Rohde B., Selzer P. (2000). „Fast calculation of molecular polar surface area as a sum of fragment based contributions and its application to the prediction of drug transport properties“. J. Med. Chem. 43: 3714-3717. DOI:10.1021/jm000942e. PMID 11020286.  edit

Literatura[уреди]

Spoljašnje veze[уреди]


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