10967/260 - QDB Compounds

QsarDB Repository

Hewitt, M.; Madden, J.C.; Rowe, P.H.; Cronin, M.T.D. Structure-based modelling in reproductive toxicology: (Q)SARs for the placental barrier. SAR QSAR Environ. Res. 2007, 18, 57-76.

Compound

ID:44
Name:Lamivudine
Description:
Labels:
CAS:134678-17-4
InChi Code:InChI=1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+/m0/s1

Properties

CI: Clearance Index

ValueSource or prediction
0.23

experimental value

0.28445

Eq.3: QSAR model to predict placental transfer (Training set)