Ortataksel

Ortataksel

Klinički podaci
AHFS/Drugs.com	Monografija
Identifikatori
CAS broj	186348-23-2
ATC kod	nije dodeljen
PubChem[1][2]	10557575
UNII	8H61Y4E29N^Y
Hemijski podaci
Formula	C44H57NO17
Mol. masa	871,920
SMILES	eMolekuli & PubHem
InChI InChI=1S/C44H57NO17/c1-20(2)17-25(45-38(53)61-40(6,7)8)29(49)37(52)57-30-21(3)28-31(56-22(4)46)33(50)42(11)26(48)18-27-43(19-55-27,60-23(5)47)32(42)35(58-36(51)24-15-13-12-14-16-24)44(41(28,9)10)34(30)59-39(54)62-44/h12-16,20,25-27,29-32,34-35,48-49H,17-19H2,1-11H3,(H,45,53)/t25-,26-,27+,29+,30+,31+,32?,34-,35?,42+,43-,44+/m0/s1 Key: BWKDAMBGCPRVPI-OUMZXMTCSA-N^Y
Farmakoinformacioni podaci
Trudnoća	?
Pravni status

Ortataksel je organsko jedinjenje, koje sadrži 44 atoma ugljenika i ima molekulsku masu od 871,920 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	17
Broj donora vodonika	3
Broj rotacionih veza	16
Particioni koeficijent[3] (ALogP)	3,8
Rastvorljivost[4] (logS, log(mol/L))	-7,6
Polarna površina[5] (PSA, Å^2)	245,8

Reference

1. 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.  edit
2. 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. 
3. 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. 
4. 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. 
5. 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

• 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. 

Vanjske veze

Ortataksel na Wikimedijinoj ostavi

• Ortataxel