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:33
Name:3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Description:Name and InChI code was generated with JChem for Excel
Labels:
CAS:
InChi Code:InChI=1S/C9H11N5O5/c15-1-3-5(16)6(17)9(19-3)14-7-4(12-13-14)8(18)11-2-10-7/h2-3,5-6,9,15-17H,1H2,(H,10,11,18)/t3-,5-,6-,9-/m1/s1

Properties

Activity: Activity against Leishmania donovani

ValueSource or prediction
active

experimental value

inactive

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

active

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