Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003440
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence Article6l compound
IUPAC Name5-cyclopropyl-2-[(3,5-dimethoxyphenyl)amino]-7-{[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino}pyrazolo[1,5-a]pyrimidine-3-carboxamide
FormulaC27H30N6O4
Mass502.5649
Exact Mass502.2328535
Composition C (64.53%), H (6.02%), N (16.72%), O (12.73%)
Atom Count67
PI6.99
Smilesc1c(cc(cc1Nc1nn2c(c1C(=O)N)nc(cc2N[C@H](CO)Cc1ccccc1)C1CC1)OC)OC
InChI1S/C27H30N6O4/c1-36-20-11-18(12-21(13-20)37-2)30-26-24(25(28)35)27-31-22(17-8-9-17)14-23(33(27)32-26
)29-19(15-34)10-16-6-4-3-5-7-16/h3-7,11-14,17,19,29,34H,8-10,15H2,1-2H3,(H2,28,35)(H,30,32)/t19-/m0/
s1
InChIKeyHVKVREKLPAMYHA-IBGZPJMESA-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
Reference17997320
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesKDR | PKC beta | Syk | ZAP | EGFR | c-Src | Lck | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 23319481
ChEMBL Link CHEMBL260861
 
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