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CHEBI:229212 - pirtobrutinib
| Formula | C22H21F4N5O3 |
| Net Charge | 0 |
| Average Mass | 479.434 |
| Monoisotopic Mass | 479.15805 |
| SMILES | COc1ccc(F)cc1C(=O)NCc1ccc(-c2nn([C@@H](C)C(F)(F)F)c(N)c2C(N)=O)cc1 |
| InChI | InChI=1S/C22H21F4N5O3/c1-11(22(24,25)26)31-19(27)17(20(28)32)18(30-31)13-5-3-12(4-6-13)10-29-21(33)15-9-14(23)7-8-16(15)34-2/h3-9,11H,10,27H2,1-2H3,(H2,28,32)(H,29,33)/t11-/m0/s1 |
| InChIKey | FWZAWAUZXYCBKZ-NSHDSACASA-N |
| Wikipedia |
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| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor An EC 2.7.10.* (protein-tyrosine kinase) inhibitor that specifically blocks the action of non-specific protein-tyrosine kinase (EC 2.7.10.2). immunosuppressive agent An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response. apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms. |
| Applications: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. immunosuppressive agent An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| pirtobrutinib (CHEBI:229212) has role antineoplastic agent (CHEBI:35610) |
| pirtobrutinib (CHEBI:229212) has role apoptosis inducer (CHEBI:68495) |
| pirtobrutinib (CHEBI:229212) has role EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor (CHEBI:76617) |
| pirtobrutinib (CHEBI:229212) has role immunosuppressive agent (CHEBI:35705) |
| pirtobrutinib (CHEBI:229212) is a benzamides (CHEBI:22702) |
| pirtobrutinib (CHEBI:229212) is a monofluorobenzenes (CHEBI:83575) |
| pirtobrutinib (CHEBI:229212) is a monomethoxybenzene (CHEBI:25235) |
| pirtobrutinib (CHEBI:229212) is a organofluorine compound (CHEBI:37143) |
| pirtobrutinib (CHEBI:229212) is a primary amino compound (CHEBI:50994) |
| pirtobrutinib (CHEBI:229212) is a primary carboxamide (CHEBI:140324) |
| pirtobrutinib (CHEBI:229212) is a pyrazoles (CHEBI:26410) |
| pirtobrutinib (CHEBI:229212) is a secondary carboxamide (CHEBI:140325) |
| IUPAC Name |
|---|
| 5-amino-3-{4-[(5-fluoro-2-methoxybenzamido)methyl]phenyl}-1-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrazole-4-carboxamide |
| INNs | Source |
|---|---|
| pirtobrutinib | WHO MedNet |
| pirtobrutinib | WHO MedNet |
| pirtobrutinib | WHO MedNet |
| pirtobrutinibum | WHO MedNet |
| Synonyms | Source |
|---|---|
| LOXO 305 | ChEBI |
| LOXO-305 | DrugBank |
| LY 3527727 | ChEBI |
| LY-3527727 | DrugBank |
| LY3527727 | DrugBank |
| RXC-005 | DrugBank |
| Brand Name | Source |
|---|---|
| Jaypirca | DrugBank |
| Manual Xrefs | Databases |
|---|---|
| 114875989 | ChemSpider |
| D12050 | KEGG DRUG |
| DB17472 | DrugBank |
| Pirtobrutinib | Wikipedia |
| Y7W | PDBeChem |
| Registry Numbers | Sources |
|---|---|
| CAS:2101700-15-4 | KEGG DRUG |
| Citations |
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