Sinkalid : Osobine, Reference, Literatura, Spoljašnje veze Wikipedia, slobodna enciklopedija

Sinkalid

Klinički podaci

AHFS/Drugs.com

Monografija

Identifikatori

CAS broj

25126-32-3

ATC kod

V04CC03

PubChem^[1]^[2]

32800

UNII

M03GIQ7Z6P^Y

KEGG^[3]

D05845^Y

ChEMBL^[4]

CHEMBL1121^Y

Hemijski podaci

Formula

C₄₉H₆₂N₁₀O₁₆S₃

Mol. masa

1143,269

SMILES

eMolekuli & PubHem

InChI

InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)
Key: IZTQOLKUZKXIRV-UHFFFAOYSA-N^Y

Sinonimi

1-De(5-oxo-L-proline)-2-de-L-glutamine-
5-L-methioninecaerulein, 3-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-carboxy-propanoyl)
amino]-3-(4-sulfooxyphenyl)propanoyl]amino]-4-
methylsulfanyl-butanoyl]amino]acetyl]amino]-3-
(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanyl-
butanoyl]amino]-3-[(1-carbamoyl-2-phenyl-ethyl)
carbamoyl]propanoic acid

Farmakoinformacioni podaci

Trudnoća

Pravni status

Sinkalid je organsko jedinjenje, koje sadrži 49 atoma ugljenika i ima molekulsku masu od 1143,269 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	19
Broj donora vodonika	13
Broj rotacionih veza	33
Particioni koeficijent^[5] (ALogP)	-3,7
Rastvorljivost^[6] (logS, log(mol/L))	-11,8
Polarna površina^[7] (PSA, Å²)	485,8

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.
↑ Gaulton A, Bellis LJ, Bento AP, Chambers J, Davies M, Hersey A, Light Y, McGlinchey S, Michalovich D, Al-Lazikani B, Overington JP. (2012). „ChEMBL: a large-scale bioactivity database for drug discovery”. Nucleic Acids Res 40 (Database issue): D1100-7. DOI:10.1093/nar/gkr777. PMID 21948594. 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.