Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002465
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence Article17 compound
IUPAC NameN,N-dimethyl-2-{4-[(1r,4r)-4-(4-amino-3-{4-[(7-chloro-1,3-benzoxazol-2-yl)amino]phenyl}-1H-pyrazolo[3,4-d]pyrimidin-1-yl)cyclohexyl]piperazin-1-yl}acetamide
FormulaC32H37ClN10O2
Mass629.155
Exact Mass628.2789482
Composition C (61.09%), H (5.93%), Cl (5.64%), N (22.26%), O (5.09%)
Atom Count82
PI9.44
Smilesc1(ncnc2c1c(nn2[C@@H]1CC[C@H](CC1)N1CCN(CC1)CC(=O)N(C)C)c1ccc(cc1)Nc1oc2c(n1)cccc2Cl)N
InChI1S/C32H37ClN10O2/c1-40(2)26(44)18-41-14-16-42(17-15-41)22-10-12-23(13-11-22)43-31-27(30(34)35-19-36-
31)28(39-43)20-6-8-21(9-7-20)37-32-38-25-5-3-4-24(33)29(25)45-32/h3-9,19,22-23H,10-18H2,1-2H3,(H,37,
38)(H2,34,35,36)/t22-,23-
InChIKeyPSLCBMWJMHKRLT-YHBQERECSA-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 26367311
ChEMBL Link CHEMBL1256429
 
TOP