Abametin
(Preusmjereno sa stranice IBSREHMXUMOFBB-FLOZSGDOSA-N)
Abametin je organsko jedinjenje, koje sadrži 95 atoma ugljenika i ima molekulsku masu od 1732,127 Da.
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| Klinički podaci | |||
|---|---|---|---|
| AHFS/Drugs.com | Monografija | ||
| Identifikatori | |||
| CAS broj | 71751-41-2 | ||
| ATCvet kod | QP54AA02 | ||
| ChemSpider[1] | 8095964 | ||
| UNII | 5U8924T11H 
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| KEGG[2] | D02777
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| ChEMBL[3] | CHEMBL1630577
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| Hemijski podaci | |||
| Formula | C95H142O28 | ||
| Mol. masa | 1732,127 | ||
| SMILES | eMolekuli & PubHem | ||
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| Sinonimi | avermectin B1 (CAS name), MK-936 | ||
| Farmakoinformacioni podaci | |||
| Trudnoća | ? | ||
| Pravni status | |||
Osobine
uredi| Osobina | Vrednost |
|---|---|
| Broj akceptora vodonika | 28 |
| Broj donora vodonika | 6 |
| Broj rotacionih veza | 15 |
| Particioni koeficijent[4] (ALogP) | 8,9 |
| Rastvorljivost[5] (logS, log(mol/L)) | -17,5 |
| Polarna površina[6] (PSA, Å2) | 340,1 |
Reference
uredi- ↑ 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.
- ↑ Joanne Wixon, Douglas Kell (2000). „Website Review: The Kyoto Encyclopedia of Genes and Genomes — KEGG”. Yeast 17 (1): 48–55. DOI:10.1002/(SICI)1097-0061(200004)17:1<48::AID-YEA2>3.0.CO;2-H.
- ↑ 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
uredi- 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.
