Selank

Selank
Klinički podaci

Drugs.com	Monografija
Identifikatori
ATC kod	None
ChemSpider	9940290^Y
Sinonimi	Selanc; L-threonyl-L-lysyl-L-prolyl-L-arginyl-L-prolylglycyl-L-Proline
Hemijski podaci
Formula	C₃₃H₅₇N₁₁O₉
Molarna masa	751,874
SMILES C[C@@H](O)[C@H](N)\C(=N\[C@@H](CCCCN)C(=O)N1CCC[C@H]1\C(=N\[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2\C(=N\CC(=O)N3CCC[C@H]3C(=O)O)\O)\O)\O
InChI InChI=1S/C33H57N11O9/c1-19(45)26(35)29(49)41-20(8-2-3-13-34)30(50)44-17-6-11-23(44)28(48)40-21(9-4-14-38-33(36)37)31(51)43-16-5-10-22(43)27(47)39-18-25(46)42-15-7-12-24(42)32(52)53/h19-24,26,45H,2-18,34-35H2,1H3,(H,39,47)(H,40,48)(H,41,49)(H,52,53)(H4,36,37,38)/t19-,20+,21+,22+,23+,24+,26+/m1/s1^Y Key:JTDTXGMXNXBGBZ-YVHUGQOKSA-N^Y

Selank je organsko jedinjenje, koje sadrži 33 atoma ugljenika i ima molekulsku masu od 751,874 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	15
Broj donora vodonika	10
Broj rotacionih veza	20
Particioni koeficijent^[1] (ALogP)	-4,6
Rastvorljivost^[2] (logS, log(mol/L))	-3,6
Polarna površina^[3] (PSA, Å²)	330,2

^ 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.
^ 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.
^ 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.

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.