Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003147
Inhibitor ClassImidazo-pyrazine
Molecule Name in Refrence Article2 compound
IUPAC Name1-(3-{8-[(pyridin-4-ylmethyl)amino]imidazo[1,2-a]pyrazin-6-yl}phenyl)-3-[3-(trifluoromethyl)phenyl]urea
FormulaC26H20F3N7O
Mass503.4785
Exact Mass503.1681429
Composition C (62.02%), H (4%), F (11.32%), N (19.47%), O (3.18%)
Atom Count57
PI8.82
Smilesc1(cccc(c1)NC(=O)Nc1cccc(c1)c1cn2c(c(n1)NCc1ccncc1)ncc2)C(F)(F)F
InChI1S/C26H20F3N7O/c27-26(28,29)19-4-2-6-21(14-19)34-25(37)33-20-5-1-3-18(13-20)22-16-36-12-11-31-24(36)
23(35-22)32-15-17-7-9-30-10-8-17/h1-14,16H,15H2,(H,32,35)(H2,33,34,37)
InChIKeyNWEIPABWNQPRCZ-UHFFFAOYSA-N
2D Structure
Structure Backbone
View Structure in JmolClick to view 3 d structure                            Download Mol File
Drug Like PropertyDruglikeliness
Symmetry & GeometrySymmetry And Geometrical Information
Activity & Binding Activity against isoform and covalant binding information
Topological PropertiesDescriptors
Reference19879134
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesAbl1 | Flt3 | VEGFR2 | EphA2 | Akt | Blk | CDK5 | EGFR | FGFR4 | Fyn | GSK-3b | IGFR | IRK | LCK | PKA | PKC alpha | PKC beta 2 | PKC theta | SRC | Syk | Zap70 | Lyn | EphB4 | Tie2 | VEGFR3 | VEGFR1 | PDGFR beta | Btk | ALL
Pub Chem Link 11755812
Drug Bank Link -
ChemSpider Link 9930515
ChEMBL Link CHEMBL1081198
 
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