PD146176

Chemical Information
PD-146176 is an organic heterotetracyclic compound that is 1H-indole which is ortho-fused to a 2H-1-benzothiopyran group at positions 2-3. It is an inhibitor of 15-lipoxygenase that limits atherosclerotic lesion development in rabbits. It has a role as a ferroptosis inhibitor, an antiatherogenic agent and an EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor. It is an organonitrogen heterocyclic compound, an organosulfur heterocyclic compound and an organic heterotetracyclic compound.
| CAS Number | 4079-26-9 |
| PubChem CID | 297589 |
| IUPAC Name | 6,11-dihydrothiochromeno[4,3-b]indole |
| Molecular Formula | C15H11NS |
| Molecular Weight | 237.32 |
| XLogP | 3.8 |
| Topological Polar Surface Area | 41.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 293 |
| Property | Value |
|---|---|
| Molecular Weight | 237.32 |
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 237.06122053 |
| Monoisotopic Mass | 237.06122053 |
| Topological Polar Surface Area | 41.1 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 293 |
| 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 |
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