WV2
mitapivat
Created: | 2023-05-19 |
Last modified: | 2024-05-15 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 58 |
Chiral Atom Count | 0 |
Bond Count | 62 |
Aromatic Bond Count | 17 |
Chemical Component Summary | |
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Name | mitapivat |
Synonyms | N-{4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]phenyl}quinoline-8-sulfonamide |
Systematic Name (OpenEye OEToolkits) | ~{N}-[4-[4-(cyclopropylmethyl)piperazin-1-yl]carbonylphenyl]quinoline-8-sulfonamide |
Formula | C24 H26 N4 O3 S |
Molecular Weight | 450.553 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(Nc1ccc(cc1)C(=O)N1CCN(CC2CC2)CC1)c1cccc2cccnc21 |
SMILES | CACTVS | 3.385 | O=C(N1CCN(CC1)CC2CC2)c3ccc(N[S](=O)(=O)c4cccc5cccnc45)cc3 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2cccnc2c(c1)S(=O)(=O)Nc3ccc(cc3)C(=O)N4CCN(CC4)CC5CC5 |
Canonical SMILES | CACTVS | 3.385 | O=C(N1CCN(CC1)CC2CC2)c3ccc(N[S](=O)(=O)c4cccc5cccnc45)cc3 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2cccnc2c(c1)S(=O)(=O)Nc3ccc(cc3)C(=O)N4CCN(CC4)CC5CC5 |
InChI | InChI | 1.06 | InChI=1S/C24H26N4O3S/c29-24(28-15-13-27(14-16-28)17-18-6-7-18)20-8-10-21(11-9-20)26-32(30,31)22-5-1-3-19-4-2-12-25-23(19)22/h1-5,8-12,18,26H,6-7,13-17H2 |
InChIKey | InChI | 1.06 | XAYGBKHKBBXDAK-UHFFFAOYSA-N |
Drug Info: DrugBank
DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank ID | DB16236 |
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Name | Mitapivat |
Groups |
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Description | Mitapivat is a novel, first-in-class pyruvate kinase activator. It works to increase the activity of erythrocyte pyruvate kinase, a key enzyme involved in the survival of red blood cells. Defects in the pyruvate kinase enzyme in various red blood cells disorders lead to the lack of energy production for red blood cells, leading to lifelong premature destruction of red blood cells or chronic hemolytic anemia.[A245478] On February 17, 2022, the FDA approved mitapivat as the first disease-modifying treatment for hemolytic anemia in adults with pyruvate kinase (PK) deficiency, a rare, inherited disorder leading to lifelong hemolytic anemia.[L40533] Mitapivat has also been investigated in other hereditary red blood cell disorders associated with hemolytic anemia, such as sickle cell disease and alpha- and beta-thalassemia.[A245478] |
Synonyms |
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Brand Names | Pyrukynd |
Indication | Mitapivat is indicated for the treatment of hemolytic anemia in adults with pyruvate kinase (PK) deficiency.[L40528] |
Categories |
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ATC-Code |
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CAS number | 1260075-17-9 |
Drug Targets
DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
Name | Target Sequence | Pharmacological Action | Actions |
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Pyruvate kinase PKLR | MSIQENISSLQLRSWVSKSQRDLAKSILIGAPGGPAGYLRRASVAQLTQE... | unknown | activator |
Aromatase | MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGP... | unknown | inhibitor |
Cytochrome P450 3A4 | MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNI... | unknown | substrate,inducer |
Cytochrome P450 2B6 | MELSVLLFLALLTGLLLLLVQRHPNTHDRLPPGPRPLPLLGNLLQMDRRG... | unknown | inducer |
Cytochrome P450 2C8 | MEPFVVLVLCLSFMLLFSLWRQSCRRRKLPPGPTPLPIIGNMLQIDVKDI... | unknown | substrate,inducer |
View More |
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison
T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS.
Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682
Related Resource References
Resource Name | Reference |
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Pharos | CHEMBL4299940 |
PubChem | 59634741 |
ChEMBL | CHEMBL4299940 |