Temokapril

(IUPAC) ime

[(2S)-6[(1S)-1-(etoksikarbonil)-3-fenilpropil]amino5-okso-2-(2-tienil)-1,4-tiazepan-4-il]sirćetna kiselina

Klinički podaci

AHFS/Drugs.com

Internacionalno ime leka

Identifikatori

CAS broj

111902-57-9

ATC kod

C09AA14

PubChem^[1]^[2]

71323

UNII

18IZ008EU6^Y

KEGG^[3]

D08566^Y

Hemijski podaci

Formula

C₂₃H₂₈N₂O₅S₂

Mol. masa

476,608 g/mol

SMILES

eMolekuli & PubHem

InChI
InChI=1S/C23H28N2O5S2/c1-2-30-23(29)17(11-10-16-7-4-3-5-8-16)24-18-15-32-20(19-9-6-12-31-19)13-25(22(18)28)14-21(26)27/h3-9,12,17-18,20,24H,2,10-11,13-15H2,1H3,(H,26,27)/t17-,18?,20-/m0/s1 Key: FIQOFIRCTOWDOW-DXCJPMOASA-N^Y

Farmakoinformacioni podaci

Trudnoća

Pravni status

Temokapril (Temokaprilum, Acecol) je ACE inhibitor.^[4] On nije odobren za upotrebu u SAD.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	7
Broj donora vodonika	2
Broj rotacionih veza	11
Particioni koeficijent^[5] (ALogP)	0,8
Rastvorljivost^[6] (logS, log(mol/L))	-5,6
Polarna površina^[7] (PSA, Å²)	149,5

Reference

↑ 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
↑ 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.
↑ 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.
↑ Hisao Oguchi1, Masuo Tokoo, Shinichi Tokunaga, Makoto Higuchi, Kazuhiko Hora, Seiichi Furuta (1995). Temocapril, A Novel Angiotensin-Converting Enzyme Inhibitor with Preferential Biliary Excretion. 13. pp. 66–85. DOI:10.1111/j.1527-3466.1995.tb00214.x.
↑ 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. edit
↑ 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. edit

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.