Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000144
Inhibitor ClassPyrazole-thio-urea
Molecule Name in Refrence ArticleC30 compound
IUPAC Name(5S)-5-(2-bromophenyl)-3-(3,4-dibromophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
FormulaC16H12Br3N3S
Mass518.064
Exact Mass514.830206
Composition C (37.09%), H (2.33%), Br (46.27%), N (8.11%), S (6.19%)
Atom Count35
PI6.04
SmilesC1(=NN([C@@H](C1)c1c(cccc1)Br)C(=S)N)c1cc(c(cc1)Br)Br
InChI1S/C16H12Br3N3S/c17-11-4-2-1-3-10(11)15-8-14(21-22(15)16(20)23)9-5-6-12(18)13(19)7-9/h1-7,15H,8H2,(H
2,20,23)/t15-/m0/s1
InChIKeyZHTUALQWFKSYPM-HNNXBMFYSA-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
Reference20627597
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 25038537
ChEMBL Link CHEMBL1173250
 
TOP