Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003439
Inhibitor ClassImidazo-pyrazine
Molecule Name in Refrence Article2f (AQIP)
IUPAC Name1-(2-phenylquinolin-7-yl)-3-[(1s,3s)-3-(azetidin-1-ylmethyl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
FormulaC29H28N6
Mass460.5728
Exact Mass460.2375449
Composition C (75.63%), H (6.13%), N (18.25%)
Atom Count63
PINo isoelectric point.
Smilesn1ccn2c(c1N)c(nc2[C@@H]1C[C@@H](C1)CN1CCC1)c1cc2c(cc1)ccc(n2)c1ccccc1
InChI1S/C29H28N6/c30-28-27-26(22-8-7-21-9-10-24(32-25(21)17-22)20-5-2-1-3-6-20)33-29(35(27)14-11-31-28)23
-15-19(16-23)18-34-12-4-13-34/h1-3,5-11,14,17,19,23H,4,12-13,15-16,18H2,(H2,30,31)/t19-,23+
InChIKeyFUGZYLOFWXVFQU-OKDJAKQTSA-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
Reference17983756
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesAbl | AKT1 | Aurora A | CDK1/cyclinB | CDK2/cyclinA | CDK2/cyclinE | CK2 | c-Raf | FAK | FES | FGFR3 | FLT3 | FYN | IKK beta | JNK3 | Lck | MAPK2 | MEK1 | P70S6K | PDGFR beta | PKA | PKC alpha | SRC | PDK1 | Rock2 | IGF1R | KDR | RON | IR | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 23318624
ChEMBL Link CHEMBL410659
 
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