Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003672
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article5q compound
IUPAC Name2-{[2-({4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}amino)ethyl](2-hydroxyethyl)amino}ethan-1-ol
FormulaC19H23BrN6O2
Mass447.329
Exact Mass446.1065867
Composition C (51.01%), H (5.18%), Br (17.86%), N (18.79%), O (7.15%)
Atom Count51
PI11.49
Smilesc1(c2c(ncn1)cnc(c2)NCCN(CCO)CCO)Nc1cc(Br)ccc1
InChI1S/C19H23BrN6O2/c20-14-2-1-3-15(10-14)25-19-16-11-18(22-12-17(16)23-13-24-19)21-4-5-26(6-8-27)7-9-28
/h1-3,10-13,27-28H,4-9H2,(H,21,22)(H,23,24,25)
InChIKeyHESSFGACSQOVPK-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 4485528
ChEMBL Link CHEMBL165630
 
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