Bioactive Compound Details

BioIDbio2357
NameTANAPROGET
ChEMBL IDCHEMBL539163
Molecular FormulaC16H15N3OS
Molecular Weight297.38
Molecular Weight (Monoisotopic)297.0936
TypeSmall molecule
Max PhasePhase 2
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsNSP-989|TANAPROGET
SmilesCn1c(C#N)ccc1-c1ccc2c(c1)C(C)(C)OC(=S)N2
InchiInChI=1S/C16H15N3OS/c1-16(2)12-8-10(4-6-13(12)18-15(21)20-16)14-7-5-11(9-17)19(14)3/h4-8H,1-3H3,(H,18,21)
Inchi KeyPYVFWTPEBMRKSR-UHFFFAOYSA-N
Molecular SpeciesACID
Targets9.0
Bioactivities18.0
Np Likeness Score-0.2
Records Key['13', '8', 'tanaproget', 'TANAPROGET', 'Tanaproget', '1', 'TANAPROGET', 'TANAPROGET', 'Tanaproget', '5218', 'TANAPROGET', 'Tanaproget', 'EOS101388']
Records Name['5-(4,4-Dimethyl-2-thioxo-1,4-dihydro-2H-benzo[d][1,3]oxazin-6-yl)-1-methyl-1H-pyrrole-2-carbonitrile', '5-(4,4-dimethyl-2-thioxo-2,4-dihydro-1H-benzo[d][1,3]oxazin-6-yl)-1-methyl-1H-pyrrole-2-carbonitrile', '5-(4,4-dimethyl-2-thioxo-2,4-dihydro-1H-benzo[d][1,3]oxazin-6-yl)-1-methyl-1H-pyrrole-2-carbonitrile', 'TANAPROGET', 'Tanaproget', 'Tanaproget', 'TANAPROGET', 'TANAPROGET', 'Tanaproget', None, 'TANAPROGET', 'Tanaproget', 'TANAPROGET']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure