Covpdb









Ligand
Ligand Name:   Osimertinib
Ligand Type:   non-polymer
Ligand ID:   COVPDB1493 PubChem:   71496458
Synonym(s):  
  •   azd-9291
  • 1421373-65-0
  • azd9291
  • mereletinib
  • azd 9291
  • tagrisso
  • unii-3c06jj0z2o
  • osimertinib free base
  • n-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methoxy-5-((4-(1-methyl-1h-indol-3-yl)pyrimidin-2-yl)amino)phenyl)acrylamide
  • n-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
  • 3c06jj0z2o
  • n-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1h-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide
  • 1421373-65-0 (free base)
  • n-[2-[[2-(dimethylamino)ethyl]methylamino]-4-methoxy-5-[[4-(1-methyl-1h-indol-3-yl)-2-pyrimidinyl]amino]phenyl]-2-propenamide
  • mereletinib [inn]
  • osimertinib [usan]
  • osimertinibum
  • n-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1h-indol-3-yl)pyrimidin-2-yl]amino}phenyl)acrylamide
  • tube720
  • osimertinib; azd 9291
  • osimertinib; azd-9291
  • mereletinib (obsolete inn)
  • azd-9291 free base
  • gtpl7719
  • chembl3353410
  • schembl14660911
  • chebi:90943
  • amy9161
  • aob6268
  • ex-a314
  • mereletinibazd-9291,osimertinib
  • c28h33n7o2
  • hms3653e10
  • hms3672m05
  • bcp08626
  • abp001123
  • bdbm50029668
  • mfcd27988062
  • nsc779217
  • nsc781254
  • nsc800812
  • s7297
  • zinc98023177
  • akos025290756
  • ccg-264683
  • cs-2018
  • db09330
  • nsc-779217
  • nsc-781254
  • nsc-800812
  • sb22952
  • ncgc00378622-03
  • ncgc00378622-04
  • ncgc00378622-10
  • 2-propenamide, n-(2-((2-(dimethylamino)ethyl)methylamino)-4-methoxy-5-((4-(1-methyl-1h-indol-3-yl)-2-pyrimidinyl)amino)phenyl)-
  • ac-29019
  • ak170511
  • as-16943
  • hy-15772
  • qc-11454
  • 4714b
  • sw219863-1
  • x3507
  • q21506464
  • 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-methylindol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide
  • n-(2-{2-dimethylaminoethyl-methylamino}-4-methoxy-5-{[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide
show 66 synonym(s)
DrugBank:   DB09330 ChEMBL:   CHEMBL3353410
Canonical SMILES:   COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12
Standard InChI:   InChI=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)
Molecular Formula:   C28H33N7O2 Mol. Weight:   499.26956 logP:   4.5098
HBD:   2 HBA:   8
#Rotatable Bonds:   10 TPSA:   87.55

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Epidermal growth factor receptor P00533 (EGFR_HUMAN) Homo sapiens (Human) 6JXT YY3
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