Etravirin je organsko jedinjenje, koje sadrži 20 atoma ugljenika i ima molekulsku masu od 435,277 Da.[1][2]

Etravirin
Etravirine.png
Etravirine3D.PNG
Klinički podaci
Drugs.comMonografija
Identifikatori
ATC kodNone
PubChemCID 193962
DrugBankDB07191 ДаY
ChemSpider168313 ДаY
ChEMBLCHEMBL308954 ДаY
Hemijski podaci
FormulaC20H15BrN6O
Molarna masa435,277

OsobineУреди

Osobina Vrednost
Broj akceptora vodonika 7
Broj donora vodonika 2
Broj rotacionih veza 4
Particioni koeficijent[3] (ALogP) 5,5
Rastvorljivost[4] (logS, log(mol/L)) -6,8
Polarna površina[5] (PSA, Å2) 120,6

ReferenceУреди

  1. ^ 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. PMC 3013709 . PMID 21059682. doi:10.1093/nar/gkq1126.  уреди
  2. ^ David S. Wishart; Craig Knox; An Chi Guo; Dean Cheng; Savita Shrivastava; Dan Tzur; Bijaya Gautam; Murtaza Hassanali (2008). „DrugBank: a knowledgebase for drugs, drug actions and drug targets”. Nucleic acids research. 36 (Database issue): D901—6. PMC 2238889 . PMID 18048412. doi:10.1093/nar/gkm958.  уреди
  3. ^ Ghose, A.K.; Viswanadhan V.N. & 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. 
  4. ^ 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. PMID 11749573. doi:10.1021/ci000392t.  уреди
  5. ^ 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. PMID 11020286. doi:10.1021/jm000942e.  уреди

LiteraturaУреди

Spoljašnje vezeУреди