1628870-27-8
COMPUTED DESCRIPTORS
| Molecular Weight | 468.6 g/mol |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 7 |
| Exact Mass | 468.23860755 g/mol |
| Monoisotopic Mass | 468.23860755 g/mol |
| Topological Polar Surface Area | 91.3 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 633 |
| 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
Itacnosertib is an orally bioavailable inhibitor of activin A receptor type 1 (activin receptor-like kinase 2; ALK2; ALK-2; ACRV1), with potential antineoplastic activity. Upon oral administration,itacnosertib targets, binds to and inhibits the activity of ALK-2. This prevents ALK-2-mediated signaling and inhibits cell growth in ALK-2-overexpressing tumor cells. In addition, in cancer and inflammatory conditions, ALK-2 is upregulated in response to increased signaling of pro-inflammatory cytokines, especially interleukin-6 (IL-6), and enhances the secretion of hepcidin, a peptide liver hormone and a key modulator of iron homeostasis. Blocking ALK-2-mediated pathways in inflammation and cancer leads to a decrease of hepcidin expression and restores plasma iron levels, thereby preventing low serum iron levels and anemia of chronic disease (ACD). ALK-2, a serine/threonine receptor kinase, is constitutively activated due to activating mutations or upregulated upstream signaling pathways in inflammatory conditions and certain types of cancer.