General Information of Drug (ID: DMETIBD)

Drug Name
MK-8719
Synonyms
1382799-40-7; (3aR,5S,6S,7R,7aR)-5-(difluoromethyl)-2-(ethylamino)-3a,6,7,7a-tetrahydro-5H-pyrano[3,2-d]thiazole-6,7-diol; (3aR,5S,6S,7R,7aR)-5-(difluoromethyl)-2-(ethylamino)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol; SCHEMBL9956073; CHEMBL4111094; GTPL10508; BDBM205424; MK8719; s8890; compound 42 [PMID: 31487175]; US9243020, 19; Q66885447; (3aR,5S,6S,7R,7aR)-5-(difluoromethyl)-2-ethylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazole-6,7-diol; (3AR,5S,6S,7R,7aR,E)-5-(difluoromethyl)-2-(ethylimino)hexahydro-5H-pyrano[3,2-d]thiazole-6,7-diol
Indication
Disease Entry ICD 11 Status REF
Progressive supranuclear palsy 8A00.10 Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 268.28
Logarithm of the Partition Coefficient (xlogp) 0.3
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C9H14F2N2O3S
IUPAC Name
(3aR,5S,6S,7R,7aR)-5-(difluoromethyl)-2-ethylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazole-6,7-diol
Canonical SMILES
CCN=C1N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)C(F)F)O)O
InChI
InChI=1S/C9H14F2N2O3S/c1-2-12-9-13-3-4(14)5(15)6(7(10)11)16-8(3)17-9/h3-8,14-15H,2H2,1H3,(H,12,13)/t3-,4-,5+,6+,8-/m1/s1
InChIKey
UDQTXCHQKHIQMH-KYGLGHNPSA-N
Cross-matching ID
PubChem CID
136416849
TTD ID
DP6Y5N

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Beta-N-acetylhexosaminidase (OGA) TT2I6UX OGA_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Discovery of MK-8719, a Potent O-GlcNAcase Inhibitor as a Potential Treatment for Tauopathies. J Med Chem. 2019 Nov 27;62(22):10062-10097.