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Progabid

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Progabid
Klinički podaci

Prodajno ime	Gabren, Gabrene
Drugs.com	Monografija
Farmakokinetički podaci
Poluvreme eliminacije	4 h

Identifikatori
CAS broj	62666-20-0^Да
ATC kod	N03AG05 (WHO)
PubChem	CID5361323
DrugBank	DB00837^Да
ChemSpider	4514729^Да
ChEMBL	CHEMBL287631^Да
Hemijski podaci
Formula	C₁₇H₁₆ClFN₂O₂
Molarna masa	334,773
SMILES NC(=O)CCCN\C(C1=CC=C(Cl)C=C1)=C1/C=C(F)C=CC1=O
InChI InChI=1S/C17H16ClFN2O2/c18-12-5-3-11(4-6-12)17(21-9-1-2-16(20)23)14-10-13(19)7-8-15(14)22/h3-8,10,21H,1-2,9H2,(H2,20,23)/b17-14+^Да Key:DWEQWXSKOHHBNT-SAPNQHFASA-N^Да

Fizički podaci
Tačka topljenja	133—135 °C (271—275 °F)

Progabid jeorgansko jedinjenje, koje sadrži 17atoma ugljenika i imamolekulsku masu od 334,773Da.^[1]^[2]^[3]

Osobine

[уреди |уреди извор]

Osobina	Vrednost
Broj akceptora vodonika	3
Broj donora vodonika	2
Broj rotacionih veza	6
Particioni koeficijent^[4] (ALogP)	2,0
Rastvorljivost^[5] (logS, log(mol/L))	-5,5
Polarna površina^[6] (PSA,Å²)	72,2

Reference

[уреди |уреди извор]

^Bartholini, G.; Scatton, B.; Zivkovic, B.; Lloyd, K. G. (1987). „GABA receptor agonists and extrapyramidal motor function: Therapeutic implications for Parkinson's disease”.Adv Neurol.1987 (45): 79—83.PMID 3030072.
^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, A. C.; Wishart, D. S. (2011).„DrugBank 3.0: A comprehensive resource for 'omics' research on drugs”.Nucleic Acids Research.39 (Database issue): D1035—41.PMC 3013709 .PMID 21059682.doi:10.1093/nar/gkq1126.
^Wishart, D. S.; Knox, C.; Guo, A. C.; Cheng, D.; Shrivastava, S.; Tzur, D.; Gautam, B.; Hassanali, M. (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, Arup K.; Viswanadhan, Vellarkad N.; Wendoloski, John J. (1998). „Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragmental Methods: An Analysis of ALOGP and CLOGP Methods”.The Journal of Physical Chemistry A.102 (21): 3762—3772.Bibcode:1998JPCA..102.3762G.doi:10.1021/jp980230o.
^Tetko, I. V.; Tanchuk, V. Y.; Kasheva, T. N.; Villa, A. E. (2001). „Estimation of aqueous solubility of chemical compounds using E-state indices”.Journal of Chemical Information and Computer Sciences.41 (6): 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”.Journal of Medicinal Chemistry.43 (20): 3714—3717.PMID 11020286.doi:10.1021/jm000942e.