Bioactive Compound Details

BioIDbio2603
NameOSIMERTINIB
ChEMBL IDCHEMBL3353410
Molecular FormulaC28H33N7O2
Molecular Weight499.62
Molecular Weight (Monoisotopic)499.2696
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsAZD-9291|AZD-9291 FREE BASE|AZD9291|MERELETINIB|OSIMERTINIB|TAGRISSO
SmilesC=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C
InchiInChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)
Inchi KeyDUYJMQONPNNFPI-UHFFFAOYSA-N
Molecular SpeciesBASE
Targets420.0
Bioactivities1515.0
Np Likeness Score-1.11
Records Key['OSIMERTINIB', '65, AZD9291', 'OSIMERTINIB', 'OSIMERTINIB', '5; AZD9291', '5; AZD9291', 'Osimertinib', 'Osimertinib', 'Osimertinib', '22', 'Osimertinib', 'OSIMERTINIB', 'Osimertinib', '3; AZD9291', 'AZD9291', 'AZD9291', '6; AZD9291', '8; AZD9291', 'COVC-2283590314', 'Osimertinib', 'AZD9291', '1; AZD9291', 'AZD9291', '8', 'Osimertinib', '5; AZD9291', 'AZD9291', '2', 'AZD9291', '6; AZD9291', 'Osimertinib', 'AZD9291', '9; AZD9291', 'AZD-9291', '6; AZD9291', '4; AZD9291', 'Osimertinib', 'OSIMERTINIB', 'Osimertinib', '4', 'Osimertinib', 'AZD9291', '3', '4; AZD9291', 'AZD-9291', '1; AZD9291', 'AZD9291', 'AZD', 'Osimertinib', 'Osimertinib', 'Osimertinib', 'Osimertinib', 'Osimertinib', 'AZD9291', 'osimertinib', '6; AZD9291', 'AZD9291', '4', 'Osimertinib', 'AZD9291', '4', '6; AZD-9291', 'Osimertinib', 'Osimertinib', 'Osimertinib', 'AZD9291', '6, AZD9291', '1', '21', 'AZD9291', 'Osimertinib', '4', '4', 'Osimertinib', 'Osimertinib', 'Osimertinib', 'AZD9291', 'Osimertinib', 'AZD9291', '76; AZD9291', 'Osimertinib', 'Osimertinib', '3; AZD9291', '10', 'Osimertinib', 'AZD9291', 'Osimertinib', '5', 'Osimertinib', 'Osimertinib', 'AZD9291', 'OSI', '5; AZD9291', '4', 'AZD9291', '5', 'Osimertinib', 'Osimertinib', 'Osimertinib', '78', '58; AZD9291', 'AZD9291', 'Osimertinib', 'Osimertinib', 'Osimertinib', 'AZD9291', 'Osimertinib', '7', 'Osimertinib', 'Osimertinib', 'Osimertinib', '1', 'Osimertinib', 'AZD9291', 'AZD9291; 5', 'AZD9291', '1', 'Osimertinib', 'Osimertinib', 'Osimertinib', '44', 'Osimertinib', '3', 'Osimertinib', '9', 'Osimertinib', '27', 'AZD9291', '34', 'osimertinib', '1', 'Osimertinib', 'Osimertinib', '6', 'OS', '6; AZD9291', '7']
Records Name['OSIMERTINIB', 'N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methoxy-5-(4-(1-methyl-1H-indol-3-yl)pyrimidin-2-ylamino)phenyl)acrylamide', 'OSIMERTINIB', 'OSIMERTINIB', 'Osimertinib', 'N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methoxy-5-(4-(1-methyl-1H-indol-3-yl)pyrimidin-2-ylamino)phenyl)acrylamide', 'Osimertinib', 'Osimertinib', 'Osimertinib', 'Osimertinib', 'Osimertinib', 'OSIMERTINIB', 'Osimertinib', 'Osimertinib', 'osimertinib', 'osimertinib', 'N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methoxy-5-(4-(1-methyl-1H-indol-3-yl)pyrimidin-2-ylamino)phenyl)acrylamide', 'Osimertinib', 'OSIMERTINIB', 'Osimertinib', 'N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methoxy-5-(4-(1-methyl-1H-indol-3-yl)pyrimidin-2-ylamino)phenyl)acrylamide', 'Osimertinib', 'N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methoxy-5-(4-(1-methyl-1H-indol-3-yl)pyrimidin-2-ylamino)phenyl)acrylamide', 'N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methoxy-5-(4-(1-methyl-1H-indol-3-yl)pyrimidin-2-ylamino)phenyl)acrylamide', 'Osimertinib; Tagrisso', 'N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methoxy-5-(4-(1-methyl-1H-indol-3-yl)pyrimidin-2-ylamino)phenyl)acrylamide', 'Osimertinib', 'Osimertinib', 'N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methoxy-5-(4-(1-methyl-1H-indol-3-yl)pyrimidin-2-ylamino)phenyl)acrylamide', 'N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methoxy-5-(4-(1-methyl-1H-indol-3-yl)pyrimidin-2-ylamino)phenyl)acrylamide', 'Osimertinib', 'Osimertinib', 'Osimertinib', 'N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methoxy-5-(4-(1-methyl-1H-indol-3-yl)pyrimidin-2-ylamino)phenyl)acrylamide', 'N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methoxy-5-(4-(1-methyl-1H-indol-3-yl)pyrimidin-2-ylamino)phenyl)acrylamide', 'Osimertinib', 'Osimertinib', 'OSIMERTINIB', 'Osimertinib', 'Osimertinib', 'Osimertinib', 'N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methoxy-5-(4-(1-methyl-1H-indol-3-yl)pyrimidin-2-ylamino)phenyl)acrylamide', 'Osimertinib', 'Osimertinib', 'N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methoxy-5-(4-(1-methyl-1H-indol-3-yl)pyrimidin-2-ylamino)phenyl)acrylamide', 'Osimertinib', 'Osimertinib', 'Osimertinib', 'Osimertinib', 'Osimertinib', 'Osimertinib', 'Osimertinib', 'Osimertinib', 'Osimertinib; N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methoxy-5-((4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl)amino)phenyl)acrylamide', 'osimertinib', 'N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methoxy-5-(4-(1-methyl-1H-indol-3-yl)pyrimidin-2-ylamino)phenyl)acrylamide', 'N-(2-((2-(dimethylamino)ethyl)(methyl)amin
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure