Rinhofilin

Izvor: Wikipedija
Prijeđi na navigaciju Prijeđi na pretragu
Rinhofilin
Klinički podaci
AHFS/Drugs.com Monografija
Identifikatori
CAS broj 76-66-4
ATC kod nije dodeljen
PubChem[1][2] 3033948
ChEMBL[3] CHEMBL519266 DaY
Hemijski podaci
Formula C22H28N2O4 
Mol. masa 384,469
SMILES eMolekuli & PubHem
Sinonimi methyl (E)-2-[(3R,6'R,7'S,8'aS)- 6'-ethyl- 2-oxospiro[1H-indole-3,1'- 3,5,6,7,8,8a-hexahydro- 2H-indolizine]- 7'-yl]- 3-methoxyprop- 2-enoate
Farmakoinformacioni podaci
Trudnoća ?
Pravni status

Rinhofilin je organsko jedinjenje, koje sadrži 22 atoma ugljenika i ima molekulsku masu od 384,469 Da.

Osobine

[uredi | uredi kod]
Osobina Vrednost
Broj akceptora vodonika 5
Broj donora vodonika 1
Broj rotacionih veza 5
Particioni koeficijent[4] (ALogP) 2,1
Rastvorljivost[5] (logS, log(mol/L)) -3,8
Polarna površina[6] (PSA, Å2) 67,9

Reference

[uredi | uredi kod]
  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

[uredi | uredi kod]

Spoljašnje veze

[uredi | uredi kod]