Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004159
Inhibitor ClassDiazepine
Molecule Name in Refrence Article11b compound
IUPAC NameN-methyl[(3-{12,14-dioxo-10,13,16-triazahexacyclo[14.6.1.0^{2,10}.0^{4,9}.0^{11,15}.0^{19,23}]tricosa-1(22),2,4,6,8,11(15),17,19(23),20-nonaen-13-yl}propyl)sulfanyl]methanimidamide
FormulaC25H21N5O2S
Mass455.532
Exact Mass455.1415956
Composition C (65.92%), H (4.65%), N (15.37%), O (7.02%), S (7.04%)
Atom Count54
PINo isoelectric point.
Smilesc1ccc2c(c1)n1c(c2)c2c3n(ccc3ccc2)c2c1c(=O)n(c2=O)CCCSC(=N)NC
InChI1S/C25H21N5O2S/c1-27-25(26)33-13-5-11-29-23(31)21-22(24(29)32)30-18-9-3-2-6-16(18)14-19(30)17-8-4-7-
15-10-12-28(21)20(15)17/h2-4,6-10,12,14H,5,11,13H2,1H3,(H2,26,27)
InChIKeyMTYBEFAXRMHIIW-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
Reference19053831
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesEPHB4 | InsR | CDK4/CycD1 | CDK2/CycA | PDGFR Beta | MET | B-RAF | ARK5 | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 23333034
ChEMBL Link CHEMBL488271
 
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