RTI-177

RTI-177
Klinički podaci
AHFS/Drugs.com Monografija
Identifikatori
ATC kod nije dodeljen
PubChem[1][2] 9800708
ChEMBL[3] CHEMBL298580 DaY
Hemijski podaci
Formula C24H26N2O 
Mol. masa 358,476
SMILES eMolekuli & PubHem
InChI
InChI=1S/C24H26N2O/c1-16-8-10-18(11-9-16)21-15-23(27-25-21)24-20(17-6-4-3-5-7-17)14-19-12-13-22(24)26(19)2/h3-11,15,19-20,22,24H,12-14H2,1-2H3/t19-,20+,22+,24-/m0/s1
Key: JXWXKPFVTJWLMV-IKJKNFHUSA-N DaY
Farmakoinformacioni podaci
Trudnoća ?
Pravni status

RTI-177 je organsko jedinjenje, koje sadrži 24 atoma ugljenika i ima molekulsku masu od 358,476 Da.

Osobine

Osobina Vrednost
Broj akceptora vodonika 2
Broj donora vodonika 0
Broj rotacionih veza 3
Particioni koeficijent[4] (ALogP) 5,4
Rastvorljivost[5] (logS, log(mol/L)) -6,6
Polarna površina[6] (PSA, Å2) 29,3

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. ↑ 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
  4. ↑ 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. 
  5. ↑ 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. 
  6. ↑ 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
RTI-177 na Wikimedijinoj ostavi
  • RTI-177