Ligand id: 4799

Name: cladribine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 119.31
Molecular weight 285.06
XLogP -0.69
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Baldwin SA, Yao SY, Hyde RJ, Ng AM, Foppolo S, Barnes K, Ritzel MW, Cass CE, Young JD. (2005)
Functional characterization of novel human and mouse equilibrative nucleoside transporters (hENT3 and mENT3) located in intracellular membranes.
J. Biol. Chem., 280 (16): 15880-7. [PMID:15701636]
2. Owen RP, Badagnani I, Giacomini KM. (2006)
Molecular determinants of specificity for synthetic nucleoside analogs in the concentrative nucleoside transporter, CNT2.
J. Biol. Chem., 281 (36): 26675-82. [PMID:16840788]