Klofezon

Klofezon
Klinički podaci
AHFS/Drugs.com	Monografija
Identifikatori
CAS broj	17449-96-6
ATC kod	M02AA03 M01AA05
PubChem	6433695
ChemSpider	4938775
UNII	5RB28NE79Y
Hemijski podaci
Formula	C33H41ClN4O4
Mol. masa	593,156
SMILES	eMolekuli & PubHem
InChI
	InChI=1S/C19H20N2O2.C14H21ClN2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16;1-3-17(4-2)10-9-16-14(18)11-19-13-7-5-12(15)6-8-13/h4-13,17H,2-3,14H2,1H3;5-8H,3-4,9-11H2,1-2H3,(H,16,18); Key: ICBCZMIEENEERJ-UHFFFAOYSA-N
Farmakoinformacioni podaci
Trudnoća	?
Pravni status

Klofezon je organsko jedinjenje, koje sadrži 33 atoma ugljenika i ima molekulsku masu od 593,156 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	6
Broj donora vodonika	1
Broj rotacionih veza	13
Particioni koeficijent^[4] (ALogP)	7,0
Rastvorljivost^[5] (logS, log(mol/L))	-9,0
Polarna površina^[6] (PSA, Å²)	85,7

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.
↑ Hettne KM, Williams AJ, van Mulligen EM, Kleinjans J, Tkachenko V, Kors JA. (2010). „Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining”. J Cheminform 2 (1): 3. DOI:10.1186/1758-2946-2-3. PMID 20331846. edit
↑ 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

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.

Spoljašnje veze

	Portal Medicina
	Portal Hemija

Clofezone

[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] Hettne KM, Williams AJ, van Mulligen EM, Kleinjans J, Tkachenko V, Kors JA. (2010). „Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining”. J Cheminform 2 (1): 3. DOI:10.1186/1758-2946-2-3. PMID 20331846. edit

[4] 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.

[5] 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.

[6] 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.

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p r u Nesteroidni antiinflamatorni lek (NSAIL) (M01A i M02A, N02BA)
Salicilati	Aspirin (acetilsalicilna kiselina) • Aloksiprin • Benorilat • Diflunisal • Etenzamid • Magnezijum salicilat • Metil salicilat • Salsalat • Salicin • Salicilamid • Natrijum salicilat
Arilalkanoinske kiseline	Diklofenak • Aceklofenak • Acemetacin • Alklofenak • Bromfenak • Etodolak • Indometacin • Indometacin farnesil • Nabumeton • Oksametacin • Proglumetacin • Sulindac • Tolmetin
2-Arilpropionske kiseline (profeni)	Ibuprofen • Alminoprofen • Benoksaprofen • Karprofen • Deksibuprofen • Deksketoprofen • Fenbufen • Fenoprofen • Flunoksaprofen • Flurbiprofen • Ibuproksam • Indoprofen^† • Ketoprofen • Ketorolak • Loksoprofen • Miroprofen • Naproksen • Oksaprozin • Pirprofen • Suprofen • Tarenflurbil • Tiaprofenska kiselina
N-Arilantranilne kiseline (fenaminske kiseline)	Mefenamska kiselina • Flufenaminska kiselina • Meklofenaminska kiselina • Tolfenaminska kiselina
Pirazolidinski derivativi	Fenilbutazon • Ampiron • Azapropazon • Klofezon • Kebuzon • Metamizol • Mofebutazon • Oksifenbutazon • Fenazon • Sulfinpirazon
Oksikami	Piroksikam • Droksikam • Lornoksikam • Meloksikam • Tenoksikam • Ampiroksikam
COX -2 inhibitori	Celekoksib • Derakoksib^‡ • Etorikoksib • Firokoksib^‡ • Lumirakoksib^† • Parekoksib • Rofekoksib^† • Valdekoksib^†
Sulfonanilidi	Nimesulid
Proizvodi sa topičkom primenom	Bendazac • Diklofenak • Etofenamat • Felbinak • Flurbiprofen • Ibuprofen • Indometacin • Ketoprofen • Naproksen • Piroksikam • Suprofen
COX-inhibirajući donori azot oksida	Naprokscinod
Drugi	Fluprohazon
Podebljani nazivi označavaju jedinjenja (spojeve) inicijalno razvijene u specifičnim grupama. ^†Lekovi povučeni sa tržišta. ^‡Veterinarski lekovi.