Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004829
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence Article7 compound
IUPAC Name1-[(1r,4r)-4-(morpholin-4-yl)cyclohexyl]-3-[2-(thiophen-2-ylmethyl)-1H-1,3-benzodiazol-6-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
FormulaC27H30N8OS
Mass514.645
Exact Mass514.2263283
Composition C (63.01%), H (5.88%), N (21.77%), O (3.11%), S (6.23%)
Atom Count67
PI9.9
Smilesc1(ncnc2c1c(nn2[C@H]1CC[C@@H](CC1)N1CCOCC1)c1cc2c(cc1)nc([nH]2)Cc1sccc1)N
InChI1S/C27H30N8OS/c28-26-24-25(17-3-8-21-22(14-17)32-23(31-21)15-20-2-1-13-37-20)33-35(27(24)30-16-29-26
)19-6-4-18(5-7-19)34-9-11-36-12-10-34/h1-3,8,13-14,16,18-19H,4-7,9-12,15H2,(H,31,32)(H2,28,29,30)/t1
8-,19-
InChIKeyFNIODIAGYLWZRY-WGSAOQKQSA-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 23306150
ChEMBL Link CHEMBL248877
 
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