Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003661
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article5f compound
IUPAC Name(2S)-3-({4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}amino)propane-1,2-diol
FormulaC16H16BrN5O2
Mass390.235
Exact Mass389.0487374
Composition C (49.24%), H (4.13%), Br (20.48%), N (17.95%), O (8.2%)
Atom Count40
PI9.49
Smilesc1(c2c(ncn1)cnc(c2)NC[C@H](O)CO)Nc1cc(Br)ccc1
InChI1S/C16H16BrN5O2/c17-10-2-1-3-11(4-10)22-16-13-5-15(18-6-12(24)8-23)19-7-14(13)20-9-21-16/h1-5,7,9,12
,23-24H,6,8H2,(H,18,19)(H,20,21,22)/t12-/m0/s1
InChIKeyOJFNYXBTRFDYPU-LBPRGKRZSA-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 4485517 21201182 21201036
ChEMBL Link CHEMBL166093
 
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