Details of the Drug

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
UNII: AV9K9X720D
DrugBank ID: DB17757
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)

MIA Detail

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.