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CHEBI:131169 - 8-chloro-2-phenyl-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]-1-isoquinolinone
| Formula | C22H17ClN6O |
| Net Charge | 0 |
| Average Mass | 416.872 |
| Monoisotopic Mass | 416.11524 |
| SMILES | C[C@H](Nc1ncnc2ncnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 |
| InChI | InChI=1S/C22H17ClN6O/c1-13(28-21-19-20(25-11-24-19)26-12-27-21)17-10-14-6-5-9-16(23)18(14)22(30)29(17)15-7-3-2-4-8-15/h2-13H,1H3,(H2,24,25,26,27,28)/t13-/m0/s1 |
| InChIKey | SJVQHLPISAIATJ-ZDUSSCGKSA-N |
| Roles Classification |
|---|
| Biological Role: | antiviral agent A substance that destroys or inhibits replication of viruses. |
| Applications: | anti-asthmatic agent Any compound that has anti-asthmatic effects. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. antirheumatic drug A drug used to treat rheumatoid arthritis. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 8-chloro-2-phenyl-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]-1-isoquinolinone (CHEBI:131169) has role anti-asthmatic agent (CHEBI:65023) |
| 8-chloro-2-phenyl-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]-1-isoquinolinone (CHEBI:131169) has role antineoplastic agent (CHEBI:35610) |
| 8-chloro-2-phenyl-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]-1-isoquinolinone (CHEBI:131169) has role antirheumatic drug (CHEBI:35842) |
| 8-chloro-2-phenyl-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]-1-isoquinolinone (CHEBI:131169) has role antiviral agent (CHEBI:22587) |
| 8-chloro-2-phenyl-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]-1-isoquinolinone (CHEBI:131169) is a isoquinolines (CHEBI:24922) |
| 8-chloro-2-phenyl-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]-1-isoquinolinone (CHEBI:131169) is a organic molecular entity (CHEBI:50860) |
| Synonyms | Source |
|---|---|
| duvelisib | ChEMBL |
| Duvelisib | ChEMBL |
| INK-1147 | ChEMBL |
| INK-1197 | ChEMBL |
| IPI-145 | ChEMBL |
| Manual Xrefs | Databases |
|---|---|
| LSM-42769 | LINCS |
| Citations |
|---|