Alatrofloksacin

Alatrofloksacin
Klinički podaci
AHFS/Drugs.com Monografija
Identifikatori
CAS broj 157182-32-6
ATC kod nije dodeljen
PubChem[1][2] 5489474
ChemSpider[3] 21106252
UNII 7QVV6I50DT DaY
ChEMBL[4] CHEMBL1201197 DaY
Hemijski podaci
Formula C26H25F3N6O5 
Mol. masa 558,509
SMILES eMolekuli & PubHem
InChI
InChI=1S/C26H25F3N6O5/c1-10(30)24(37)33-25(38)11(2)31-20-14-7-34(8-15(14)20)23-18(29)6-13-21(36)16(26(39)40)9-35(22(13)32-23)19-4-3-12(27)5-17(19)28/h3-6,9-11,14-15,20,31H,7-8,30H2,1-2H3,(H,39,40)(H,33,37,38)/t10?,11?,14-,15+,20?
Key: GAJLLIJXQAMBHW-HVOYUNNHSA-N DaY
Farmakoinformacioni podaci
Trudnoća ?
Pravni status

Alatrofloksacin je organsko jedinjenje, koje sadrži 26 atoma ugljenika i ima molekulsku masu od 558,509 Da.

Osobine

Osobina Vrednost
Broj akceptora vodonika 11
Broj donora vodonika 4
Broj rotacionih veza 7
Particioni koeficijent[5] (ALogP) -0,3
Rastvorljivost[6] (logS, log(mol/L)) -5,8
Polarna površina[7] (PSA, Å2) 161,4

Reference

  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. 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. 
  6. 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. 
  7. 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

  • Hardman JG, Limbird LE, Gilman AG. (2001). Goodman & Gilman's The Pharmacological Basis of Therapeutics (10 izd.). New York: McGraw-Hill. DOI:10.1036/0071422803. ISBN 0-07-135469-7. 
  • Thomas L. Lemke, David A. Williams, ur. (2007). Foye's Principles of Medicinal Chemistry (6 izd.). Baltimore: Lippincott Willams & Wilkins. ISBN 0-7817-6879-9. 

Spoljašnje veze

Portal Medicina
Portal Hemija
Alatrofloksacin na Wikimedijinoj ostavi
  • Alatrofloxacin
  • p
  • r
  • u
Antifolati
(inhibira
purinski metabolizam,
i tim putem inhibira
DNK i RNK sintezu)
Sulfonamidi
(DS inhibitor)
Kratkotrajni
Srednje trajni
Dugotrajni
Drugi/negrupisani
Kombinacije
Inhibitori
topoizomeraze/
hinoloni/
(inhibiraju
DNK replikaciju)
Srodni agenti (DG)
Anaerobni DNK
inhibitori
Nitro- imidazol derivati
Nitrofuran derivati
RNK sinteza

M: BAC

bact (clas)

gr+f/gr+a (t)/gr-p (c)/gr-o

drug (J1p, w, n, m, vacc)