Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003404
Inhibitor ClassTriazine-pyridine
Molecule Name in Refrence Article20 compound
IUPAC Name3-[(4-{4-[(3-chlorophenyl)amino]-1,3,5-triazin-2-yl}pyridin-2-yl)amino]propan-1-ol
FormulaC17H17ClN6O
Mass356.809
Exact Mass356.1152369
Composition C (57.22%), H (4.8%), Cl (9.94%), N (23.55%), O (4.48%)
Atom Count42
PI8.4
Smilesn1c(ncnc1c1cc(ncc1)NCCCO)Nc1cc(Cl)ccc1
InChI1S/C17H17ClN6O/c18-13-3-1-4-14(10-13)23-17-22-11-21-16(24-17)12-5-7-20-15(9-12)19-6-2-8-25/h1,3-5,7,
9-11,25H,2,6,8H2,(H,19,20)(H,21,22,23,24)
InChIKeyAAYPLLWGPJQWCC-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
Reference15999992
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymescalmodulin kinase 2 | Casein kinase 2 | FGFR-2 | Insulin R kinase | MAPK/ERK2 | PDGFR | PKA | PKB beta | PKC gamma | CDK7/cyclinH | GSK-3 beta | CDK1/cyclinB | CDK5/p35 | Casein kinase 1 | CDK4/cyclinD1 | VEGFR2 | CDK6/cyclinD3 | CDK2/cyclinA | ALL
Pub Chem Link 9863538
Drug Bank Link -
ChemSpider Link 8039234
ChEMBL Link CHEMBL191336
 
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