Ergoloid
(Preusmjereno sa stranice FQHMMOGHDWAXDI-WUQHHHCFSA-N)
| |||
| Klinički podaci | |||
|---|---|---|---|
| Robne marke | Alkergot, Circanol, Co-Dergocrine Mesylate, Deapril-ST | ||
| AHFS/Drugs.com | Monografija | ||
| Identifikatori | |||
| CAS broj | 8067-24-1 | ||
| ATC kod | C04AE01 | ||
| DrugBank | DB01049 | ||
| KEGG[1] | C14055 
| ||
| ChEBI | CHEBI:34706
| ||
| Hemijski podaci | |||
| Formula | C30H41N5O8S | ||
| Mol. masa | 631,740 | ||
| SMILES | eMolekuli & PubHem | ||
| |||
| Farmakokinetički podaci | |||
| Poluvreme eliminacije | 3,5 h | ||
| Farmakoinformacioni podaci | |||
| Trudnoća | ? | ||
| Pravni status | |||
| Način primene | Oralno | ||
Ergoloid je organsko jedinjenje, koje sadrži 29 atoma ugljenika i ima molekulsku masu od 631,740 Da.[2][3]
Osobine[uredi | uredi kod]
| Osobina | Vrednost |
|---|---|
| Broj akceptora vodonika | 9 |
| Broj donora vodonika | 4 |
| Broj rotacionih veza | 3 |
| Particioni koeficijent[4] (ALogP) | 2,2 |
| Rastvorljivost[5] (logS, log(mol/L)) | -4,5 |
| Polarna površina[6] (PSA, Å2) | 180,9 |
Reference[uredi | uredi kod]
- ↑ 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.
- ↑ 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. DOI:10.1093/nar/gkq1126. PMC 3013709. PMID 21059682.
- ↑ David S. Wishart, Craig Knox, An Chi Guo, Dean Cheng, Savita Shrivastava, Dan Tzur, Bijaya Gautam, and Murtaza Hassanali (2008). „DrugBank: a knowledgebase for drugs, drug actions and drug targets”. Nucleic Acids Res 36 (Database issue): D901-6. DOI:10.1093/nar/gkm958. PMC 2238889. PMID 18048412.
- ↑ 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 | uredi kod]
- 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.
