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CHEBI:229649 - leniolisib
| Formula | C21H25F3N6O2 |
| Net Charge | 0 |
| Average Mass | 450.465 |
| Monoisotopic Mass | 450.19911 |
| SMILES | CCC(=O)N1CC[C@H](Nc2ncnc3c2CN(c2cnc(OC)c(C(F)(F)F)c2)CC3)C1 |
| InChI | InChI=1S/C21H25F3N6O2/c1-3-18(31)30-6-4-13(10-30)28-19-15-11-29(7-5-17(15)26-12-27-19)14-8-16(21(22,23)24)20(32-2)25-9-14/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,26,27,28)/t13-/m0/s1 |
| InChIKey | MWKYMZXCGYXLPL-ZDUSSCGKSA-N |
| Wikipedia |
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| Roles Classification |
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| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | EC 2.7.1.153 (phosphatidylinositol-4,5-bisphosphate 3-kinase) inhibitor Any EC 2.7.1.* (phosphotransferases with an alcohol group as acceptor) inhibitor that interferes with the action of phosphatidylinositol-4,5-bisphosphate 3-kinase (EC 2.7.1.153). immunomodulator Biologically active substance whose activity affects or plays a role in the functioning of the immune system. |
| Application: | immunomodulator Biologically active substance whose activity affects or plays a role in the functioning of the immune system. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| leniolisib (CHEBI:229649) has role EC 2.7.1.153 (phosphatidylinositol-4,5-bisphosphate 3-kinase) inhibitor (CHEBI:229651) |
| leniolisib (CHEBI:229649) has role immunomodulator (CHEBI:50846) |
| leniolisib (CHEBI:229649) is a aromatic ether (CHEBI:35618) |
| leniolisib (CHEBI:229649) is a organofluorine compound (CHEBI:37143) |
| leniolisib (CHEBI:229649) is a pyridines (CHEBI:26421) |
| leniolisib (CHEBI:229649) is a pyridopyrimidine (CHEBI:38932) |
| leniolisib (CHEBI:229649) is a pyrrolidines (CHEBI:38260) |
| leniolisib (CHEBI:229649) is a secondary amino compound (CHEBI:50995) |
| leniolisib (CHEBI:229649) is a tertiary carboxamide (CHEBI:140326) |
| Incoming Relation(s) |
| leniolisib phosphate (CHEBI:229650) has part leniolisib (CHEBI:229649) |
| IUPAC Name |
|---|
| 1-[(3S)-3-({6-[6-methoxy-5-(trifluoromethyl)pyridin-3-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl}amino)pyrrolidin-1-yl]propan-1-one |
| INNs | Source |
|---|---|
| leniolisib | WHO MedNet |
| leniolisib | WHO MedNet |
| léniolisib | WHO MedNet |
| leniolisibum | WHO MedNet |
| Synonyms | Source |
|---|---|
| CDZ 173 | ChEBI |
| CDZ173 | ChEBI |
| CDZ-173 free base | DrugBank |
| CDZ173 free base | DrugBank |
| CDZ-173-NX | DrugBank |
| CDZ173-NX | DrugBank |
| Manual Xrefs | Databases |
|---|---|
| 5715 | DrugCentral |
| 9NQ | PDBeChem |
| D11158 | KEGG DRUG |
| DB16217 | DrugBank |
| Leniolisib | Wikipedia |
| Registry Numbers | Sources |
|---|---|
| CAS:1354690-24-6 | KEGG DRUG |
| Citations |
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