Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004813
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence Article9 compound
IUPAC Name3-{2-[(2-methoxyphenyl)methyl]-1H-1,3-benzodiazol-6-yl}-1-[(1r,4r)-4-(morpholin-4-yl)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
FormulaC30H34N8O2
Mass538.6434
Exact Mass538.2804724
Composition C (66.89%), H (6.36%), N (20.8%), O (5.94%)
Atom Count74
PI9.95
Smilesc1(ncnc2c1c(nn2[C@H]1CC[C@@H](CC1)N1CCOCC1)c1cc2c(cc1)nc([nH]2)Cc1ccccc1OC)N
InChI1S/C30H34N8O2/c1-39-25-5-3-2-4-19(25)17-26-34-23-11-6-20(16-24(23)35-26)28-27-29(31)32-18-33-30(27)3
8(36-28)22-9-7-21(8-10-22)37-12-14-40-15-13-37/h2-6,11,16,18,21-22H,7-10,12-15,17H2,1H3,(H,34,35)(H2
,31,32,33)/t21-,22-
InChIKeyYETDQFJRLHRQJD-HZCBDIJESA-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
Reference19217287
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesIGF-IR |
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 23306115
ChEMBL Link CHEMBL437584
 
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