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:30
Name:9-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-1H-purin-6-one
Description:Name and InChI code was generated with JChem for Excel
Labels:
CAS:
InChi Code:InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m0/s1

Properties

Activity: Activity against Leishmania donovani

ValueSource or prediction
active

experimental value

active

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

active

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