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Compound Detail

CHEMBL242173

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O=C(O)c1ccc2c(c1)C1C=CCC1C(c1cccc(Br)c1)N2

Basic Information

ChEMBL ID CHEMBL242173
Phase Preclinical
Structure Type MOL
InChI Key XPWBIFYCUFEFIV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

370.2
MW (Da)
4.97
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H16BrNO2
MW 370.25
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.49

Activity Summary

Ki 1 meas. best 5.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Low molecular weight phosphotyrosine protein phosphatase
CHEMBL1075054
Ki 5.05 5.05 9000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17367895 10.1016/j.ejmech.2007.01.017 Low molecular weight phosphotyrosine protein phosphatase 1

Data from ChEMBL 36 via Core Engine