Adefovir : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Adefovir

Adefovir
Klinički podaci

Prodajno ime	Hepsera, Preveon
Drugs.com	Monografija
Način primene	Oralno
Farmakokinetički podaci
Poluvreme eliminacije	7,48 ± 1,65 h
Izlučivanje	Renalno

Identifikatori
CAS broj	142340-99-6^Y
ATC kod	J05AF08 (WHO)
PubChem	CID 60871
DrugBank	DB00718^Y
ChemSpider	54855^Y
KEGG	C11277^Y
ChEMBL	CHEMBL484^Y
Hemijski podaci
Formula	C₂₀H₃₂N₅O₈P
Molarna masa	501,471
SMILES CC(C)(C)C(=O)OCOP(=O)(COCCN1C=NC2=C(N)N=CN=C12)OCOC(=O)C(C)(C)C
InChI InChI=1S/C20H32N5O8P/c1-19(2,3)17(26)30-11-32-34(28,33-12-31-18(27)20(4,5)6)13-29-8-7-25-10-24-14-15(21)22-9-23-16(14)25/h9-10H,7-8,11-13H2,1-6H3,(H2,21,22,23)^Y Key:WOZSCQDILHKSGG-UHFFFAOYSA-N^Y

Adefovir je organsko jedinjenje, koje sadrži 20 atoma ugljenika i ima molekulsku masu od 501,471 Da.^[1]^[2]

Osobine

Osobina	Vrednost
Broj akceptora vodonika	12
Broj donora vodonika	1
Broj rotacionih veza	15
Particioni koeficijent^[3] (ALogP)	1,7
Rastvorljivost^[4] (logS, log(mol/L))	-2,9
Polarna površina^[5] (PSA, Å²)	176,8

^ 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. PMC 3013709 . PMID 21059682. doi:10.1093/nar/gkq1126.
^ David S. Wishart; Craig Knox; An Chi Guo; Dean Cheng; Savita Shrivastava; Dan Tzur; Bijaya Gautam; Murtaza Hassanali (2008). „DrugBank: a knowledgebase for drugs, drug actions and drug targets”. Nucleic acids research. 36 (Database issue): D901—6. PMC 2238889 . PMID 18048412. doi:10.1093/nar/gkm958.
^ Ghose, A.K.; Viswanadhan V.N. & 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. PMID 11749573. doi:10.1021/ci000392t.
^ 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. PMID 11020286. doi:10.1021/jm000942e.

Hardman JG, Limbird LE, Gilman AG (2001). Goodman & Gilman's The Pharmacological Basis of Therapeutics (10. изд.). New York: McGraw-Hill. ISBN 0071354697. doi:10.1036/0071422803.
Thomas L. Lemke; David A. Williams, ур. (2007). Foye's Principles of Medicinal Chemistry (6. изд.). Baltimore: Lippincott Willams & Wilkins. ISBN 0781768799.