INDY

Chemical Information
INDY is a member of the class of benzothiazoles that is 2,3-dihydro-1,3-benzothiazole substituted by 2-oxopropylidene, ethyl, and hydroxy groups at positions 2, 3 and 5, respectively. It is an ATP-competitive inhibitor of Dyrk1A and Dyrk1B (IC50 of 0.24 M and 0.23 M, respectively). It has a role as an EC 2.7.12.1 (dual-specificity kinase) inhibitor, an antineoplastic agent and a drug metabolite. It is an organic hydroxy compound, a member of benzothiazoles and an enone.
| CAS Number | 1169755-45-6 |
| PubChem CID | 44136031 |
| IUPAC Name | (1Z)-1-(3-ethyl-5-hydroxy-1,3-benzothiazol-2-ylidene)propan-2-one |
| Molecular Formula | C12H13NO2S |
| Molecular Weight | 235.30 |
| XLogP | 2.2 |
| Topological Polar Surface Area | 65.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 316 |
| Property | Value |
|---|---|
| Molecular Weight | 235.30 |
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 235.06669983 |
| Monoisotopic Mass | 235.06669983 |
| Topological Polar Surface Area | 65.8 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 316 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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