Dibromotirozin

Iz Wikipedije, slobodne enciklopedije
Idi na navigaciju Idi na pretragu
Dibromotirozin
Klinički podaci
AHFS/Drugs.com Monografija
Identifikatori
ATC kod nije dodeljen
PubChem[1][2] 67532
DrugBank DB07637
ChemSpider[3] 60854
ChEBI CHEBI:28335 YesY
Hemijski podaci
Formula C9H9Br2NO3 
Mol. masa 338,981
SMILES eMolekuli & PubHem
Farmakoinformacioni podaci
Trudnoća ?
Pravni status

Dibromotirozin je organsko jedinjenje, koje sadrži 9 atoma ugljenika i ima molekulsku masu od 338,981 Da.[4][5]

Osobine[uredi - уреди | uredi izvor]

Osobina Vrednost
Broj akceptora vodonika 4
Broj donora vodonika 3
Broj rotacionih veza 3
Particioni koeficijent[6] (ALogP) -0,4
Rastvorljivost[7] (logS, log(mol/L)) -3,7
Polarna površina[8] (PSA, Å2) 83,5

Reference[uredi - уреди | uredi izvor]

  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. PMID 20970519. doi:10.1016/j.drudis.2010.10.003.  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. PMID 20331846. doi:10.1186/1758-2946-2-3.  edit
  4. 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. PMC 3013709. PMID 21059682. doi:10.1093/nar/gkq1126.  edit
  5. David S. Wishart, Craig Knox, An Chi Guo, Dean Cheng, Savita Shrivastava, Dan Tzur, Bijaya Gautam, and Murtaza Hassanali (2008). "DrugBank: a knowledgebase for drugs, drug actions and drug targets". Nucleic acids research 36 (Database issue): D901–6. PMC 2238889. PMID 18048412. doi:10.1093/nar/gkm958.  edit
  6. 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. 
  7. 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. PMID 11749573. doi:10.1021/ci000392t.  edit
  8. 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. PMID 11020286. doi:10.1021/jm000942e.  edit

Literatura[uredi - уреди | uredi izvor]

Spoljašnje veze[uredi - уреди | uredi izvor]