Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002473
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence Article28 compound
IUPAC NameN-(4-{4-amino-1-[(1r,4r)-4-(4-methylpiperazin-1-yl)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-3-methylphenyl)-7-chloro-1,3-benzoxazol-2-amine
FormulaC30H34ClN9O
Mass572.104
Exact Mass571.2574845
Composition C (62.98%), H (5.99%), Cl (6.2%), N (22.03%), O (2.8%)
Atom Count75
PI9.79
Smilesc1(ncnc2c1c(nn2[C@@H]1CC[C@H](CC1)N1CCN(CC1)C)c1c(cc(cc1)Nc1oc2c(n1)cccc2Cl)C)N
InChI1S/C30H34ClN9O/c1-18-16-19(35-30-36-24-5-3-4-23(31)27(24)41-30)6-11-22(18)26-25-28(32)33-17-34-29(25
)40(37-26)21-9-7-20(8-10-21)39-14-12-38(2)13-15-39/h3-6,11,16-17,20-21H,7-10,12-15H2,1-2H3,(H,35,36)
(H2,32,33,34)/t20-,21-
InChIKeyFYSLYZBOZFMTDD-MEMLXQNLSA-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
Reference20817523
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesIGF1R |
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 26364564
ChEMBL Link CHEMBL1256436
 
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