Pranlukast

Pranlukast

Klinički podaci
Drugs.com	Monografija
Identifikatori
CAS broj	103177-37-3^Y
ATC kod	R03DC02 (WHO)
PubChem	CID 115100
DrugBank	DB01411^Y
ChemSpider	102999^Y
ChEMBL	CHEMBL21333^Y
Hemijski podaci
Formula	C27H23N5O4
Molarna masa	481,503
SMILES O=C(NC1=CC2=C(C=C1)C(=O)C=C(O2)C1=NNN=N1)C1=CC=C(OCCCCC2=CC=CC=C2)C=C1
InChI InChI=1S/C27H23N5O4/c33-23-17-25(26-29-31-32-30-26)36-24-16-20(11-14-22(23)24)28-27(34)19-9-12-21(13-10-19)35-15-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-14,16-17H,4-5,8,15H2,(H,28,34)(H,29,30,31,32)^Y Key:UAJUXJSXCLUTNU-UHFFFAOYSA-N^Y

Pranlukast je organsko jedinjenje, koje sadrži 27 atoma ugljenika i ima molekulsku masu od 481,503 Da.^[1][2][3]

Osobine

Osobina	Vrednost
Broj akceptora vodonika	7
Broj donora vodonika	2
Broj rotacionih veza	9
Particioni koeficijent[4] (ALogP)	4,7
Rastvorljivost[5] (logS, log(mol/L))	-7,3
Polarna površina[6] (PSA, Å^2)	119,1

Reference

1. Nakade, S.; Ueda, S.; Ohno, T.; Nakayama, K.; Miyata, Y.; Yukawa, E.; Higuchi, S. (април 2006). „Population pharmacokinetics of pranlukast hydrate dry syrup in children with allergic rhinitis and bronchial asthma”. Drug Metabolism and Pharmacokinetics. 21 (2): 133—9. PMID 16702733. doi:10.2133/dmpk.21.133. CS1 одржавање: Формат датума (веза)
2. 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.  уреди
3. 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.  уреди
4. 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. 
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. PMID 11749573. doi:10.1021/ci000392t.  уреди
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. PMID 11020286. doi:10.1021/jm000942e.  уреди

Literatura

• 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. 

Spoljašnje veze

• Pranlukast

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