Details of the Drug

General Information of Drug (ID: DMCGK9H)

Drug Name
VT-1129
Synonyms Metalloenzyme inhibitors (fungal infection); VT-1161; VT-1235; Metalloenzyme inhibitors (fungal infection), Viamet
Indication
Disease Entry ICD 11 Status REF
Onchocerciasis 1F6A Phase 2 [1]
Onychomycosis EE12.1 Phase 2 [2]
Cryptococcal meningitis infection 1D01.10 Phase 1 [3]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 513.4
Logarithm of the Partition Coefficient (xlogp) 4.3
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 13
Chemical Identifiers
Formula
C22H14F7N5O2
IUPAC Name
(2R)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-[4-(trifluoromethoxy)phenyl]pyridin-2-yl]propan-2-ol
Canonical SMILES
C1=CC(=CC=C1C2=CN=C(C=C2)C([C@](CN3C=NN=N3)(C4=C(C=C(C=C4)F)F)O)(F)F)OC(F)(F)F
InChI
InChI=1S/C22H14F7N5O2/c23-15-4-7-17(18(24)9-15)20(35,11-34-12-31-32-33-34)21(25,26)19-8-3-14(10-30-19)13-1-5-16(6-2-13)36-22(27,28)29/h1-10,12,35H,11H2/t20-/m0/s1
InChIKey
NCEHACHJIXJSPD-FQEVSTJZSA-N
Cross-matching ID
PubChem CID
91886002
ChEBI ID
CHEMBL3311227
CAS Number
1340593-70-5
UNII
7WJ1XH4Z6A
DrugBank ID
DB17758
TTD ID
D0UA9J
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Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Enzyme unspecific (Enz) TT3C1VN NOUNIPROTAC Inhibitor [4]
Lanosterol 14-alpha demethylase (CYP51A1) TT67TDP CP51A_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT01891305) A Study to Evaluate the Efficacy and Safety of Oral VT-1161 in Patients With Moderate - Severe Interdigital Tinea Pedis. U.S. National Institutes of Health.
2 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
3 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
4 The clinical candidate VT-1161 is a highly potent inhibitor of Candida albicans CYP51 but fails to bind the human enzyme. Antimicrob Agents Chemother. 2014 Dec;58(12):7121-7.