Lenvatinib

Lenvatinib
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	417716-92-8^Y
ATC kod	L01XE29 (WHO)
PubChem	CID 9823820
ChemSpider	7999567^Y
UNII	EE083865G2^Y
ChEBI	CHEBI:816009^Y
ChEMBL	CHEMBL1289601^Y
Hemijski podaci
Formula	C₂₁H₁₉ClN₄O₄
Molarna masa	426,853
SMILES COc1cc2nccc(Oc3ccc(N\C(=N\C4CC4)\O)c(Cl)c3)c2cc1C(=N)O
InChI InChI=1S/C21H19ClN4O4/c1-29-19-10-17-13(9-14(19)20(23)27)18(6-7-24-17)30-12-4-5-16(15(22)8-12)26-21(28)25-11-2-3-11/h4-11H,2-3H2,1H3,(H2,23,27)(H2,25,26,28)^Y Key:WOSKHXYHFSIKNG-UHFFFAOYSA-N^Y

Lenvatinib je organsko jedinjenje, koje sadrži 21 atom ugljenika i ima molekulsku masu od 426,853 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	8
Broj donora vodonika	4
Broj rotacionih veza	7
Particioni koeficijent^[1] (ALogP)	4,2
Rastvorljivost^[2] (logS, log(mol/L))	-5,3
Polarna površina^[3] (PSA, Å²)	120,1

^ 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.