Letermovir

Letermovir
Klinički podaci

Drugs.com	Monografija
Identifikatori
ATC kod	None
PubChem	CID 45138674
ChemSpider	26352849^Y
ChEMBL	CHEMBL1241951^Y
Sinonimi	AIC246
Hemijski podaci
Formula	C₂₉H₂₈F₄N₄O₄
Molarna masa	572,551
SMILES COc1cccc(c1)N2CCN(CC2)C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c5cc(ccc5OC)C(F)(F)F
InChI InChI=1S/C29H28F4N4O4/c1-40-20-6-3-5-19(16-20)35-11-13-36(14-12-35)28-34-27-21(7-4-8-22(27)30)23(17-26(38)39)37(28)24-15-18(29(31,32)33)9-10-25(24)41-2/h3-10,15-16,23H,11-14,17H2,1-2H3,(H,38,39)/t23-/m0/s1^Y Key:FWYSMLBETOMXAG-QHCPKHFHSA-N^Y

Letermovir je organsko jedinjenje, koje sadrži 29 atoma ugljenika i ima molekulsku masu od 572,551 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	8
Broj donora vodonika	1
Broj rotacionih veza	8
Particioni koeficijent^[1] (ALogP)	5,5
Rastvorljivost^[2] (logS, log(mol/L))	-6,4
Polarna površina^[3] (PSA, Å²)	77,8

^ 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.