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:34
Name:7-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H,4H-thieno[3,2-d]pyrimidin-4-one
Description:Name and InChI code was generated with JChem for Excel
Labels:
CAS:
InChi Code:InChI=1S/C11H12N2O5S/c14-1-5-7(15)8(16)9(18-5)4-2-19-10-6(4)12-3-13-11(10)17/h2-3,5,7-9,14-16H,1H2,(H,12,13,17)/t5-,7-,8-,9+/m1/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)