10967/169 - QDB Compounds

QsarDB Repository

Oliveira, K. M. G.; Takahata, Y. QSAR Modeling of Nucleosides Against Amastigotes of Leishmania donovani Using Logistic Regression and Classification Tree. QSAR Comb. Sci. 2008, 27, 1020–1027.

Compound

ID:8
Name:1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(methylsulfanyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
Description:Name and InChI code was generated with JChem for Excel
Labels:
CAS:
InChi Code:InChI=1S/C11H14N4O5S/c1-21-11-13-8-4(9(19)14-11)2-12-15(8)10-7(18)6(17)5(3-16)20-10/h2,5-7,10,16-18H,3H2,1H3,(H,13,14,19)/t5-,6-,7-,10-/m1/s1

Properties

Activity: Activity against Leishmania donovani

ValueSource or prediction
active

experimental value

active

Eq.3: QSAR model for nucleosides (Training set)

active

Fig.4: Classification tree for nucleosides (Training set)