Details of the Drug

General Information of Drug (ID: DMA72I1)

Drug Name

BAL-8557

Synonyms

Drochloride; Monohydrochloride; RO-0098557; N-Methylglycine [2-[N-[1-[1-[(2R,3R)-3-[4-(4-cyanophenyl)-2-thiazolyl]-2-(2,5-difluorophenyl)-2-hydroxybutyl]-1H-1,2,4-triazolium-4-yl]ethoxy]carbonyl]-N-methylamino]-3-pyridinyl]methyl ester chloride; 1-[3(R)-[4-(4-Cyanophenyl)thiazol-2-yl]-2(R)-(2,5-difluorophenyl)-2-hydroxybutyl]-4-[1-[N-methyl-N-[3-[2-(methylamino)acetoxymethyl]pyridin-2-yl]carbamoyloxy]ethyl]-1H-1,2,4-triazol-4-ium chloride, hy

Indication

Disease Entry	ICD 11	Status	REF
Fungal infection	1F29-1F2F	Phase 3	[1]
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Affected Organisms

Aspergillis, Candida and other fungiCandida albicans and other yeasts

Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

Chemical Identifiers

Formula: C35H35F2N8O5S+
Canonical SMILES: CC(C1=NC(=CS1)C2=CC=C(C=C2)C#N)C(CN3C=[N+](C=N3)C(C)OC(=O)N(C)C4=C(C=CC=N4)COC(=O)CNC)(C5=C(C=CC(=C5)F)F)O
InChI: 1S/C35H35F2N8O5S/c1-22(33-42-30(18-51-33)25-9-7-24(15-38)8-10-25)35(48,28-14-27(36)11-12-29(28)37)19-45-21-44(20-41-45)23(2)50-34(47)43(4)32-26(6-5-13-40-32)17-49-31(46)16-39-3/h5-14,18,20-23,39,48H,16-17,19H2,1-4H3/q+1/t22-,23?,35+/m0/s1
InChIKey: RSWOJTICKMKTER-QXLBVTBOSA-N

Cross-matching ID

PubChem CID: 6918606
ChEBI ID: CHEBI:85978
CAS Number: 742049-41-8
UNII: VH2L779W8Q
DrugBank ID: DB06636
TTD ID: D08HVG

References

1	ClinicalTrials.gov (NCT00412893) Isavuconazole (BAL8557) for Primary Treatment of Invasive Aspergillosis. U.S. National Institutes of Health.