2TA
N-tert-butyl-3-{[5-methyl-2-({4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide
Find entries where: 2TA
is present as a standalone ligand in 5 entries
Chemical Component Summary | |
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Name | N-tert-butyl-3-{[5-methyl-2-({4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide |
Synonyms | Fedratinib |
Identifiers | N-tert-butyl-3-[[5-methyl-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]amino]pyrimidin-4-yl]amino]benzenesulfonamide |
Formula | C27 H36 N6 O3 S |
Molecular Weight | 524.678 |
Type | NON-POLYMER |
Isomeric SMILES | Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4 |
InChI | InChI=1S/C27H36N6O3S/c1-20-19-28-26(30-21-10-12-23(13-11-21)36-17-16-33-14-5-6-15-33)31-25(20)29-22-8-7-9-24(18-22)37(34,35)32-27(2,3)4/h7-13,18-19,32H,5-6,14-17H2,1-4H3,(H2,28,29,30,31) |
InChIKey | JOOXLOJCABQBSG-UHFFFAOYSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 73 |
Chiral Atom Count | 0 |
Bond Count | 76 |
Aromatic Bond Count | 18 |
Drug Info: DrugBank
DrugBank ID | DB12500 |
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Name | Fedratinib |
Groups |
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Description | Fedratinib, also known as SAR302503 and TG101348, is a tyrosine kinase inhibitor used to treat intermediate-2 and high risk primary and secondary myelofibrosis.[A183176,L8090] It is an anilinopyrimidine derivative.[A183188] Fedratinib was granted FDA approval on August 16, 2019.[L8090] |
Synonyms |
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Brand Names | Inrebic |
Indication | Fedratinib is indicated for the treatment of adult patients with intermediate-2 or high-risk primary or secondary (post-polycythemia vera or post-essential thrombocythemia) myelofibrosis.[L8090,L47016] |
Categories |
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ATC-Code |
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CAS number | 936091-26-8 |
Drug Targets
Name | Target Sequence | Pharmacological Action | Actions |
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Tyrosine-protein kinase JAK2 | MGMACLTMTEMEGTSTSSIYQNGDISGNANSMKQIDPVLQVYLYHSLGKS... | unknown | inhibitor |
Receptor-type tyrosine-protein kinase FLT3 | MPALARDGGQLPLLVVFSAMIFGTITNQDLPVIKCVLINHKNNDSSVGKS... | unknown | inhibitor |
Tyrosine-protein kinase JAK1 | MQYLNIKEDCNAMAFCAKMRSSKKTEVNLEAPEPGVEVIFYLSDREPLRL... | unknown | inhibitor |
Cytochrome P450 3A4 | MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNI... | unknown | substrate |
Cytochrome P450 2C19 | MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDV... | unknown | substrate |
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 | CHEMBL1287853 |
PubChem | 16722836 |
ChEMBL | CHEMBL1287853 |
ChEBI | CHEBI:91408 |