Tekovirimat

Izvor: Wikipedia
Tekovirimat
Klinički podaci
AHFS/Drugs.com Monografija
Identifikatori
ATC kod nije dodeljen
UNII F925RR824R YesY
ChEMBL[1] CHEMBL1242629 YesY
Hemijski podaci
Formula C19H15F3N2O3 
Mol. masa 376,329
SMILES eMolekuli & PubHem
Sinonimi ST-246
Farmakoinformacioni podaci
Trudnoća  ?
Pravni status

Tekovirimat je organsko jedinjenje, koje sadrži 19 atoma ugljenika i ima molekulsku masu od 376,329 Da.

Osobine[uredi - уреди]

Osobina Vrednost
Broj akceptora vodonika 3
Broj donora vodonika 1
Broj rotacionih veza 3
Particioni koeficijent[2] (ALogP) 2,0
Rastvorljivost[3] (logS, log(mol/L)) -5,0
Polarna površina[4] (PSA, Å2) 66,5

Reference[uredi - уреди]

  1. 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
  2. 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. 
  3. 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. 
  4. 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[uredi - уреди]

Spoljašnje veze[uredi - уреди]