Bioactive Compound Details

BioIDbio3266
NameGABOXADOL
ChEMBL IDCHEMBL312443
Molecular FormulaC6H8N2O2
Molecular Weight140.14
Molecular Weight (Monoisotopic)140.0586
TypeSmall molecule
Max PhasePhase 3
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsGABOXADOL|Gaboxadol|LU 02-030|LU-02-030|LU-02030|MK-0928|NSC-759585
SmilesOc1noc2c1CCNC2
InchiInChI=1S/C6H8N2O2/c9-6-4-1-2-7-3-5(4)10-8-6/h7H,1-3H2,(H,8,9)
Inchi KeyZXRVKCBLGJOCEE-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets29.0
Bioactivities63.0
Np Likeness Score0.03
Records Key['3', '3', 'THIP', 'THIP', '5 (THIP)', 'SID11113715', 'THIP', '3, THIP', '3, THIP', 'SID104171241', '10', 'GABOXADOL', '3', 'SID170466512', 'THIP', 'THIP', 'SID11111837', 'SID11111836', 'GABOXADOL', 'SID90341079', 'THIP', 'gaboxadol', 'COVC-0677959607', 'BA1000254']
Records Name['4,5,6,7-Tetrahydro-isoxazolo[5,4-c]pyridin-3-ol', '4,5,6,7-Tetrahydro-isoxazolo[5,4-c]pyridin-3-ol', '4,5,6,7-Tetrahydro-isoxazolo[5,4-c]pyridin-3-ol anion', '4,5,6,7-Tetrahydro-isoxazolo[5,4-c]pyridin-3-one', '4,5,6,7-Tetrahydro-isoxazolo[5,4-c]pyridin-3-ol', 'SID11113715', '4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridin-3-ol', '4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridin-3-ol', '4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridin-3-ol', 'SID104171241', '4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridin-3-ol', 'GABOXADOL', '4,5,6,7-Tetrahydro-isoxazolo[5,4-c]pyridin-3-ol', 'SID170466512', '4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridin-3-ol', '4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridin-6-ium-3-olate (THIP)', 'SID11111837', 'SID11111836', 'GABOXADOL', 'SID90341079', '4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridine-3-ol', 'gaboxadol', 'GABOXADOL', 'GABOXADOL']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure