Bioactive Compound Details

BioIDbio3320
NameRAVOXERTINIB
ChEMBL IDCHEMBL3544964
Molecular FormulaC21H18ClFN6O2
Molecular Weight440.87
Molecular Weight (Monoisotopic)440.1164
TypeSmall molecule
Max PhasePhase 2
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsGDC-0994|GDC0994|RAVOXERTINIB|RG-7842
SmilesCn1nccc1Nc1nccc(-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1
InchiInChI=1S/C21H18ClFN6O2/c1-28-19(5-8-25-28)27-21-24-7-4-17(26-21)13-6-9-29(20(31)11-13)18(12-30)14-2-3-15(22)16(23)10-14/h2-11,18,30H,12H2,1H3,(H,24,26,27)/t18-/m1/s1
Inchi KeyRZUOCXOYPYGSKL-GOSISDBHSA-N
Molecular SpeciesNEUTRAL
Targets293.0
Bioactivities370.0
Np Likeness Score-1.67
Records Key['GDC-0994', 'GDC-0994, RG-7842', '3; GDC-0994', 'Ravoxertinib', 'RAVOXERTINIB', '3; GDC-0994', 'BDBM120095', '4; GDC-0994', '22; GDC-0994', 'RAVOXERTINIB', 'GDC-0994', 'GDC-0994', 'Ravoxertinib', 'BDBM120095', 'RAVOXERTINIB', 'GDC-0994', 'Ravoxertinib', 'EOS101780']
Records Name['GDC-0994', '(S)-1-(1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-(1-methyl-1H-pyrazol-5-ylamino)pyrimidin-4-yl)pyridin-2(1H)-one', '(S)-1-(1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-(1-methyl-1H-pyrazol-5-ylamino)pyrimidin-4-yl)pyridin-2(1H)-one', 'Ravoxertinib', 'RAVOXERTINIB', '1-[(1S)-1-(4-chloro-3-fluoro-phenyl)-2-hydroxy-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one', 'US8697715, 39::US9259470, 39', '1-[(1S)-1-(4-chloro-3-fluoro-phenyl)-2-hydroxy-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one', '(S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one', 'RAVOXERTINIB', 'GDC-0994', 'GDC-0994', 'Ravoxertinib', 'US8697715, 39::US9259470, 39', 'RAVOXERTINIB', 'GDC-0994', 'Ravoxertinib', 'ravoxertinib']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure