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CHEBI:85979 - isavuconazole
| Formula | C22H17F2N5OS |
| Net Charge | 0 |
| Average Mass | 437.475 |
| Monoisotopic Mass | 437.11219 |
| SMILES | C[C@@H](c1nc(-c2ccc(C#N)cc2)cs1)[C@](O)(Cn1cncn1)c1cc(F)ccc1F |
| InChI | InChI=1S/C22H17F2N5OS/c1-14(21-28-20(10-31-21)16-4-2-15(9-25)3-5-16)22(30,11-29-13-26-12-27-29)18-8-17(23)6-7-19(18)24/h2-8,10,12-14,30H,11H2,1H3/t14-,22+/m0/s1 |
| InChIKey | DDFOUSQFMYRUQK-RCDICMHDSA-N |
| Wikipedia |
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| Roles Classification |
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| Biological Roles: | ergosterol biosynthesis inhibitor Any compound that inhibits one or more steps in the pathway leading to the synthesis of ergosterol. EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor An EC 1.14.13.* (oxidoreductase acting on paired donors, incorporating 1 atom of oxygen, with NADH or NADPH as one donor) inhibitor that interferes with the action of EC 1.14.13.70 (sterol 14α-demethylase). antifungal drug Any antifungal agent used to prevent or treat fungal infections in humans or animals. ergosterol biosynthesis inhibitor Any compound that inhibits one or more steps in the pathway leading to the synthesis of ergosterol. antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. antifungal drug Any antifungal agent used to prevent or treat fungal infections in humans or animals. antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. ergosterol biosynthesis inhibitor Any compound that inhibits one or more steps in the pathway leading to the synthesis of ergosterol. antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. |
| Applications: | orphan drug Any drug that has been developed specifically for treatment of a rare medical condition, the condition itself being known as an orphan disease. renoprotective agent Any compound that is able to prevent damage to the kidneys. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. antifungal drug Any antifungal agent used to prevent or treat fungal infections in humans or animals. antifungal drug Any antifungal agent used to prevent or treat fungal infections in humans or animals. |
| ChEBI Ontology |
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| Outgoing Relation(s) |
| isavuconazole (CHEBI:85979) has role antineoplastic agent (CHEBI:35610) |
| isavuconazole (CHEBI:85979) has role EC 1.14.13.70 (sterol 14α-demethylase) inhibitor (CHEBI:77884) |
| isavuconazole (CHEBI:85979) has role ergosterol biosynthesis inhibitor (CHEBI:75282) |
| isavuconazole (CHEBI:85979) has role orphan drug (CHEBI:71031) |
| isavuconazole (CHEBI:85979) has role renoprotective agent (CHEBI:231911) |
| isavuconazole (CHEBI:85979) is a 1,3-thiazoles (CHEBI:38418) |
| isavuconazole (CHEBI:85979) is a alkylbenzene (CHEBI:38976) |
| isavuconazole (CHEBI:85979) is a conazole antifungal drug (CHEBI:87071) |
| isavuconazole (CHEBI:85979) is a difluorobenzene (CHEBI:38582) |
| isavuconazole (CHEBI:85979) is a nitrile (CHEBI:18379) |
| isavuconazole (CHEBI:85979) is a organic molecular entity (CHEBI:50860) |
| isavuconazole (CHEBI:85979) is a tertiary alcohol (CHEBI:26878) |
| isavuconazole (CHEBI:85979) is a triazole antifungal drug (CHEBI:87101) |
| IUPAC Name |
|---|
| 4-{2-[(2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl}benzonitrile |
| INNs | Source |
|---|---|
| isavuconazol | WHO MedNet |
| isavuconazole | ChemIDplus |
| isavuconazole | WHO MedNet |
| isavuconazolum | WHO MedNet |
| Synonyms | Source |
|---|---|
| BAL 4815 | ChemIDplus |
| BAL-4815 | ChEMBL |
| Manual Xrefs | Databases |
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| Isavuconazole | Wikipedia |
| Registry Numbers | Sources |
|---|---|
| Reaxys:9295730 | Reaxys |
| CAS:241479-67-4 | ChemIDplus |
| Citations |
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