Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004198
Inhibitor ClassPyrimidine
Molecule Name in Refrence Article28 compound
IUPAC NameN,1,4,4-tetramethyl-8-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-1H,4H,5H-pyrazolo[4,3-h]quinazoline-3-carboxamide
FormulaC25H32N8O
Mass460.5746
Exact Mass460.2699077
Composition C (65.19%), H (7%), N (24.33%), O (3.47%)
Atom Count66
PI10.96
SmilesO=C(NC)c1nn(C)c2c1C(Cc1c2nc(nc1)Nc1ccc(cc1)N1CCN(C)CC1)(C)C
InChI1S/C25H32N8O/c1-25(2)14-16-15-27-24(29-20(16)22-19(25)21(23(34)26-3)30-32(22)5)28-17-6-8-18(9-7-17)3
3-12-10-31(4)11-13-33/h6-9,15H,10-14H2,1-5H3,(H,26,34)(H,27,28,29)
InChIKeyRXZMYLDMFYNEIM-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
Reference19603809
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesAKT1 | CDC7 | CHK1 | CK2 | ERK2 | GSK-3 beta | IGF1R | IKK2 | IKKi | IR | LYN | MAPKAPK2 | MET | P38a | P38ß | PAK4 | PDK1 | PKA alpha | PKC beta | PLK1 | STLK2 | TRKA | VEGFR2 | Zap70 | AurA | NEK6 | NIM | FGFR1 | CDK7/H | CDK4/D1 | RET | LCK | CDK5/p25 | SULU1 | CDK2/E | CDK1/B | AurB | CDK2/A | c-Abl | TRKA | PDGFR | C-KIT | VEGFR3 | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 16788113
ChEMBL Link CHEMBL564829
 
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