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Pirlindol

Izvor: Wikipedija
Pirlindol
Klinički podaci
AHFS/Drugs.comMonografija
Identifikatori
CAS broj60762-57-4
ATC kodnije dodeljen
PubChem[1][2]68802
ChemSpider[3]62039
UNIIV39YPH45FZ DaY
KEGG[4]D08392 DaY
ChEMBL[5]CHEMBL32350 DaY
Hemijski podaci
FormulaC15H18N2 
Mol. masa226,317
SMILESeMolekuli &PubHem
InChI
InChI=1S/C15H18N2/c1-10-5-6-14-12(9-10)11-3-2-4-13-15(11)17(14)8-7-16-13/h5-6,9,13,16H,2-4,7-8H2,1H3
Key: IWVRVEIKCBFZNF-UHFFFAOYSA-N DaY
Farmakoinformacioni podaci
Trudnoća?
Pravni status

Pirlindol jeorgansko jedinjenje, koje sadrži 15atomaugljenika i imamolekulsku masu od 226,317Da.

Osobine

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OsobinaVrednost
Broj akceptora vodonika1
Broj donora vodonika1
Broj rotacionih veza0
Particioni koeficijent[6] (ALogP)3,4
Rastvorljivost[7] (logS, log(mol/L))-4,7
Polarna površina[8] (PSA,Å2)17,0

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. Joanne Wixon, Douglas Kell (2000). „Website Review: The Kyoto Encyclopedia of Genes and Genomes — KEGG”. Yeast 17 (1): 48–55. DOI:10.1002/(SICI)1097-0061(200004)17:1<48::AID-YEA2>3.0.CO;2-H. 
  5. 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
  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. DOI:10.1021/ci000392t. PMID 11749573. 
  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. DOI:10.1021/jm000942e. PMID 11020286. 

Literatura

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Vanjske veze

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Portal Medicina
Portal Hemija
Pirlindol naWikimedijinoj ostavi
Izvor:https://sh.wikipedia.org/w/index.php?title=Pirlindol&oldid=42289402
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