JWH-249
Из Википедије, слободне енциклопедије
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Klinički podaci | |
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AHFS/Drugs.com | Monografija |
Identifikatori | |
CAS broj | 864445-60-3 |
ATC kod | nije dodeljen |
PubChem[1][2] | 44397335 |
ChemSpider[3] | 23253217 |
ChEMBL[4] | CHEMBL363471 ![]() |
Hemijski podaci | |
Formula | C21H22BrNO |
Mol. masa | 384,309 |
SMILES | eMolekuli & PubHem |
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Farmakoinformacioni podaci | |
Trudnoća | ? |
Pravni status |
JWH-249 je organsko jedinjenje, koje sadrži 21 atom ugljenika i ima molekulsku masu od 384,309 Da.
Osobine[уреди]
Osobina | Vrednost |
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Broj akceptora vodonika | 1 |
Broj donora vodonika | 0 |
Broj rotacionih veza | 7 |
Particioni koeficijent[5] (ALogP) | 6,3 |
Rastvorljivost[6] (logS, log(mol/L)) | -8,2 |
Polarna površina[7] (PSA, Å2) | 22,0 |
Reference[уреди]
- ↑ 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.
- ↑ 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.
- ↑ 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.
- ↑ 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.
- ↑ 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.
- ↑ 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.
- ↑ 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[уреди]
- Hardman JG, Limbird LE, Gilman AG. (2001). Goodman & Gilman's The Pharmacological Basis of Therapeutics (10 ed.). New York: McGraw-Hill. doi:10.1036/0071422803. ISBN 0071354697.
- Thomas L. Lemke, David A. Williams, ed. (2007). Foye's Principles of Medicinal Chemistry (6 ed.). Baltimore: Lippincott Willams & Wilkins. ISBN 0781768799.