Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003167
Inhibitor ClassDihydroindeno-pyrazole
Molecule Name in Refrence Article19 compound
IUPAC Name1-methyl-4-{[3-(thiophen-3-yl)-1H,4H-indeno[1,2-c]pyrazol-7-yl]methyl}piperazine
FormulaC20H22N4S
Mass350.48
Exact Mass350.1565174
Composition C (68.54%), H (6.33%), N (15.99%), S (9.15%)
Atom Count47
PI8.7
Smilesc1(ccc2c(c1)c1c(C2)c(n[nH]1)c1cscc1)CN1CCN(CC1)C
InChI1S/C20H22N4S/c1-23-5-7-24(8-6-23)12-14-2-3-15-11-18-19(16-4-9-25-13-16)21-22-20(18)17(15)10-14/h2-4,
9-10,13H,5-8,11-12H2,1H3,(H,21,22)
InChIKeyOLLCPXMBOYVHAF-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
Reference16750628
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesc-Kit | c-Met | FGFR | FLT1 | FLT4 | KDR | LCK | PDGFR | Tie2 | ALL
Pub Chem Link 44414347
Drug Bank Link -
ChemSpider Link 23273707
ChEMBL Link CHEMBL213743
 
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