Drinabant

Drinabant
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	358970-97-5^Y
ATC kod	None
PubChem	CID 10278470
ChemSpider	8453947^Y
Hemijski podaci
Formula	C₂₃H₂₀Cl₂F₂N₂O₂S
Molarna masa	497,385
SMILES CS(=O)(=O)N(C1CN(C1)C(c2ccc(Cl)cc2)c3ccc(Cl)cc3)c4cc(F)cc(F)c4
InChI InChI=1S/C23H20Cl2F2N2O2S/c1-32(30,31)29(21-11-19(26)10-20(27)12-21)22-13-28(14-22)23(15-2-6-17(24)7-3-15)16-4-8-18(25)9-5-16/h2-12,22-23H,13-14H2,1H3^Y Key:IQQBRKLVEALROM-UHFFFAOYSA-N^Y

Drinabant je organsko jedinjenje, koje sadrži 23 atoma ugljenika i ima molekulsku masu od 497,385 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	3
Broj donora vodonika	0
Broj rotacionih veza	6
Particioni koeficijent^[1] (ALogP)	5,9
Rastvorljivost^[2] (logS, log(mol/L))	-7,7
Polarna površina^[3] (PSA, Å²)	49,0

^ 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.