General Information of Drug (ID: DM8HBW0)

Drug Name
VT-1598
Synonyms
VT-1598; AV9K9X720D; 2089320-99-8; Benzonitrile, 4-((4-(2-(6-((2R)-2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(1H-tetrazol-1-yl)propyl)-3-pyridinyl)ethynyl)phenoxy)methyl)-; 4-((4-(2-(6-((2R)-2-(2,4-Difluorophenyl)-1,1-difluoro-2-hydroxy-3-(1H-tetrazol-1-yl)propyl)-3-pyridinyl)ethynyl)phenoxy)methyl)benzonitrile; UNII-AV9K9X720D; CHEMBL4594426; SCHEMBL18663468; UDGASIIGNCBLSI-PMERELPUSA-N; GLXC-25139; EX-A7312; VT1598; HY-123777; CS-0085651; 4-((4-((6-(2-(2,4-Difluorophenyl)-1,1-difluoro-2-hydroxy-3-(1H-tetrazol-1-yl)propyl)-3-pyridinyl)ethynyl)phenoxy)methyl)benzonitrile; 4-[[4-[2-[6-[(2R)-2-(2,4-Difluorophenyl)-1,1-difluoro-2-hydroxy-3-(tetrazol-1-yl)propyl]pyridin-3-yl]ethynyl]phenoxy]methyl]benzonitrile; Benzonitrile, 4-((4-(2-(6-(2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(1H-tetrazol-1-yl)propyl)-3-pyridinyl)ethynyl)phenoxy)methyl)-
Indication
Disease Entry ICD 11 Status REF
Coccidioidomycosis 1F25 Phase 1 [1]
Drug Type
Small molecule
Structure
3D MOL 2D MOL
Chemical Identifiers
Formula
C31H20F4N6O2
Canonical SMILES
C1=CC(=CC=C1COC2=CC=C(C=C2)C#CC3=CN=C(C=C3)C(C(CN4C=NN=N4)(C5=C(C=C(C=C5)F)F)O)(F)F)C#N
InChI
InChI=1S/C31H20F4N6O2/c32-25-10-13-27(28(33)15-25)30(42,19-41-20-38-39-40-41)31(34,35)29-14-9-23(17-37-29)4-1-21-7-11-26(12-8-21)43-18-24-5-2-22(16-36)3-6-24/h2-3,5-15,17,20,42H,18-19H2/t30-/m0/s1
InChIKey
UDGASIIGNCBLSI-PMERELPUSA-N
Cross-matching ID
PubChem CID
126715974
TTD ID
DUAI04

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Candida Cytochrome P450 51 (Candi ERG11) TTTSOUD CP51_CANAL Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT04208321) A Phase 1, First-In-Human, Randomized, Double-Blind, Placebo-Controlled, Single Dose-Escalation Study to Evaluate the Safety and Pharmacokinetics of Single Oral Doses of VT-1598 in Healthy Adult Subjects. U.S.National Institutes of Health.
2 The novel fungal CYP51 inhibitor VT-1598 displays classic dose-dependent antifungal activity in murine models of invasive aspergillosis. Med Mycol. 2020 Jun 1;58(4):505-513.