Ligand id: 7581

Name: (S)-crizotinib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 77.99
Molecular weight 449.12
XLogP 2.83
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

No information available.
Mechanism Of Action and Pharmacodynamic Effects
Oxidised nucleotide triphosphates (induced by oxidative stress, for example) may be incorporated into DNA/RNA and cause mutagenesis. NUDT1 acts as an antimutagenic enzyme by hydrolysing these oxidised nucleotide triphosphates to monophosphates, thereby preventing their misincorporation. (S)-crizotinib inhibition of NUDT1 causes an accumulation of DNA single-strand breaks which activates DNA repair in vitro. In vivo the effect is observed as tumour suppression [1].