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:11
Name:6-amino-1-[(2R,3S,4R,5R)-3,4-bis(benzyloxy)-5-[(benzyloxy)methyl]oxolan-2-yl]-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/C31H31N5O5/c32-31-34-28-24(29(37)35-31)16-33-36(28)30-27(40-19-23-14-8-3-9-15-23)26(39-18-22-12-6-2-7-13-22)25(41-30)20-38-17-21-10-4-1-5-11-21/h1-16,25-27,30H,17-20H2,(H3,32,34,35,37)/t25-,26-,27+,30-/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)