Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003676
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article5u compound
IUPAC Name4-N-(3-bromophenyl)-6-N-[2-(1H-imidazol-4-yl)ethyl]pyrido[3,4-d]pyrimidine-4,6-diamine
FormulaC18H16BrN7
Mass410.271
Exact Mass409.0650562
Composition C (52.7%), H (3.93%), Br (19.48%), N (23.9%)
Atom Count42
PI10.5
Smilesc1(c2c(ncn1)cnc(c2)NCCc1nc[nH]c1)Nc1cc(Br)ccc1
InChI1S/C18H16BrN7/c19-12-2-1-3-13(6-12)26-18-15-7-17(22-9-16(15)24-11-25-18)21-5-4-14-8-20-10-23-14/h1-3
,6-11H,4-5H2,(H,20,23)(H,21,22)(H,24,25,26)
InChIKeyJKSUBOCXWXIPAH-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
Reference9513602
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 4485532
ChEMBL Link CHEMBL162142
 
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