Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004218
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article3q compound
IUPAC Name4-N-(3-bromophenyl)-7-N-[2-(morpholin-4-yl)ethyl]pyrido[4,3-d]pyrimidine-4,7-diamine
FormulaC19H21BrN6O
Mass429.314
Exact Mass428.096022
Composition C (53.16%), H (4.93%), Br (18.61%), N (19.58%), O (3.73%)
Atom Count48
PI10.81
Smilesn1cnc(c2c1cc(nc2)NCCN1CCOCC1)Nc1cc(ccc1)Br
InChI1S/C19H21BrN6O/c20-14-2-1-3-15(10-14)25-19-16-12-22-18(11-17(16)23-13-24-19)21-4-5-26-6-8-27-9-7-26/
h1-3,10-13H,4-9H2,(H,21,22)(H,23,24,25)
InChIKeyRHIKOEXNOGXDPV-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
Reference9397172
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 4485476
ChEMBL Link CHEMBL128987
 
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