Ramoplanin
| |||
| Klinički podaci | |||
|---|---|---|---|
| AHFS/Drugs | Monografija | ||
| Identifikatori | |||
| CAS broj | 76168-82-6 | ||
| ATC kod | nije dodeljen | ||
| PubChem[1][2] | 16132338 | ||
| UNII | 0WX9996O2G
| ||
| ChEMBL[3] | CHEMBL1095892
| ||
| Hemijski podaci | |||
| Formula | C106H170ClN21O30 | ||
| Mol. masa | 2254,060 | ||
| SMILES | eMolekuli&PubHem | ||
| |||
| Farmakoinformacioni podaci | |||
| Trudnoća | ? | ||
| Pravni status | |||
Ramoplaninjeorgansko jedinjenje,koje sadrži 106atomaugljenikai imamolekulsku masuod 2254,060Da.
| Osobina | Vrednost |
|---|---|
| Broj akceptora vodonika | 32 |
| Broj donora vodonika | 31 |
| Broj rotacionih veza | 61 |
| Particioni koeficijent[4](ALogP) | -6,9 |
| Rastvorljivost[5](logS,log(mol/L)) | -18,2 |
| Polarna površina[6](PSA,Å2) | 852,3 |
- ↑Li Q, Cheng T, Wang Y, Bryant SH (2010).„PubChem as a public resource for drug discovery.”.Drug Discov Today15(23-24): 1052-7.DOI:10.1016/j.drudis.2010.10.003.PMID20970519.
- ↑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 Chemistry4:217-241.DOI:10.1016/S1574-1400(08)00012-1.
- ↑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 Res40(Database issue): D1100-7.DOI:10.1093/nar/gkr777.PMID21948594.
- ↑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. A102:3762-3772.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.PMID11749573.
- ↑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.PMID11020286.
- 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.ISBN0-07-135469-7.
- Thomas L. Lemke, David A. Williams, ur. (2007).Foye's Principles of Medicinal Chemistry(6 izd.). Baltimore: Lippincott Willams & Wilkins.ISBN0-7817-6879-9.
