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Nomifensin

Izvor: Wikipedija
Nomifensin
Klinički podaci
Robne markeLinamiphen, Merital, Nomifenison
AHFS/Drugs.comMonografija
Identifikatori
CAS broj24526-64-5
ATC kodN06AX04
PubChem[1][2]4528
DrugBankDB04821
ChemSpider[3]4371
ChEBICHEBI:116225 DaY
ChEMBL[4]CHEMBL273575 DaY
Hemijski podaci
FormulaC16H18N2 
Mol. masa238,327
SMILESeMolekuli &PubHem
InChI
InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3
Key: XXPANQJNYNUNES-UHFFFAOYSA-N DaY
Fizički podaci
Tačka topljenja180 °C (356 °F)
Farmakoinformacioni podaci
Trudnoća?
Pravni status

Nomifensin jeorgansko jedinjenje, koje sadrži 16atomaugljenika i imamolekulsku masu od 238,327Da.[5][6]

Osobine

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OsobinaVrednost
Broj akceptora vodonika2
Broj donora vodonika1
Broj rotacionih veza1
Particioni koeficijent[7] (ALogP)2,6
Rastvorljivost[8] (logS, log(mol/L))-3,7
Polarna površina[9] (PSA,Å2)29,3

Reference

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  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. 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
  6. 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 Res 36 (Database issue): D901-6. DOI:10.1093/nar/gkm958. PMC 2238889. PMID 18048412.  edit
  7. 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. 
  8. 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
  9. 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

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Vanjske veze

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Portal Medicina
Portal Hemija
Nomifensin naWikimedijinoj ostavi
Izvor:https://sh.wikipedia.org/w/index.php?title=Nomifensin&oldid=42279105
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