Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003168
Inhibitor ClassDihydroindeno-pyrazole
Molecule Name in Refrence Article35 compound
IUPAC Name1-{[3-(thiophen-3-yl)-1H,4H-indeno[1,2-c]pyrazol-7-yl]methyl}-1H-imidazole
FormulaC18H14N4S
Mass318.396
Exact Mass318.0939172
Composition C (67.9%), H (4.43%), N (17.6%), S (10.07%)
Atom Count37
PI7.29
Smilesc1(ccc2c(c1)c1c(C2)c(n[nH]1)c1cscc1)Cn1ccnc1
InChI1S/C18H14N4S/c1-2-13-8-16-17(14-3-6-23-10-14)20-21-18(16)15(13)7-12(1)9-22-5-4-19-11-22/h1-7,10-11H,
8-9H2,(H,20,21)
InChIKeyAQFXVMZZFFFSCG-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
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Reported activity against other enzymesc-Kit | c-Met | FGFR | FLT1 | FLT4 | KDR | LCK | PDGFR | Tie2 | ALL
Pub Chem Link 44414322
Drug Bank Link -
ChemSpider Link 23273684
ChEMBL Link CHEMBL212084
 
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