Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002464
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence Article16 compound
IUPAC NameN-(4-{4-amino-1-[(1s,4s)-4-[4-(3-methoxypropyl)piperazin-1-yl]cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}phenyl)-7-chloro-1,3-benzoxazol-2-amine
FormulaC32H38ClN9O2
Mass616.156
Exact Mass615.2836992
Composition C (62.38%), H (6.22%), Cl (5.75%), N (20.46%), O (5.19%)
Atom Count82
PI9.69
Smilesc1(ncnc2c1c(nn2[C@@H]1CC[C@@H](CC1)N1CCN(CC1)CCCOC)c1ccc(cc1)Nc1oc2c(n1)cccc2Cl)N
InChI1S/C32H38ClN9O2/c1-43-19-3-14-40-15-17-41(18-16-40)23-10-12-24(13-11-23)42-31-27(30(34)35-20-36-31)2
8(39-42)21-6-8-22(9-7-21)37-32-38-26-5-2-4-25(33)29(26)44-32/h2,4-9,20,23-24H,3,10-19H2,1H3,(H,37,38
)(H2,34,35,36)/t23-,24+
InChIKeySGQJPPQXKVUHGS-PSWAGMNNSA-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 26366807
ChEMBL Link CHEMBL1256428
 
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