Daprodustat

Chemical Information
Daprodustat is a member of the class of barbiturates that is barbituric acid substituted by cyclohexyl groups at positions 1 and 3, and by a (carboxymethyl)aminocarbonyl group at position 5. It is an inhibitor of hypoxia-inducible factor prolyl hydroxylase developed by GlaxoSmithKline for the treatment of anaemia in patients with chronic kidney disease. It has a role as an EC 1.14.11.29 (hypoxia-inducible factor-proline dioxygenase) inhibitor, an antiviral agent and an anti-anaemic agent. It is a secondary carboxamide, a N-acylglycine, a member of barbiturates and an oxo monocarboxylic acid.
| CAS Number | 960539-70-2 |
| PubChem CID | 91617630 |
| IUPAC Name | 2-[(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinane-5-carbonyl)amino]acetic acid |
| Molecular Formula | C19H27N3O6 |
| Molecular Weight | 393.4 |
| XLogP | 2.5 |
| Topological Polar Surface Area | 124 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 627 |
| Property | Value |
|---|---|
| Molecular Weight | 393.4 |
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 393.18998559 |
| Monoisotopic Mass | 393.18998559 |
| Topological Polar Surface Area | 124 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 627 |
| 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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