COMPUTED DESCRIPTORS
| Molecular Weight | 406.5 g/mol |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 406.18050415 g/mol |
| Monoisotopic Mass | 406.18050415 g/mol |
| Topological Polar Surface Area | 73.8 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 703 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Venadaparib is an orally bioavailable inhibitor of the nuclear enzymes poly(ADP-ribose) polymerase (PARP) 1 and 2, with potential antineoplastic activity. Upon administration, venadaparib selectively binds to PARP-1 and -2 and prevents PARP-1 and -2 mediated DNA repair of single-strand DNA (ssDNA) breaks via the base-excision repair pathway. This promotes the conversion of ssDNA breaks to double-stranded DNA breaks, promotes genomic instability and eventually leads to apoptosis. PARP catalyzes post-translational ADP-ribosylation of nuclear proteins that signal and recruit other proteins to repair damaged DNA and is activated by ssDNA breaks.