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Compound Detail

CHEMBL5556193

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O=C(CCN1C(=O)Cc2cc(F)ccc2C1=O)Nc1ccccc1Br

Basic Information

ChEMBL ID CHEMBL5556193
Phase Preclinical
Structure Type MOL
InChI Key VAGRKWNZVMXJPW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

405.2
MW (Da)
3.14
ALogP
3
HBA
1
HBD
66.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14BrFN2O3
MW 405.22
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.66

Activity Summary

IC50 1 meas. best 6.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ubiquitin carboxyl-terminal hydrolase 2
CHEMBL1293227
IC50 6.6 6.6 250.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
38452725 10.1016/j.ejmech.2024.116275 Ubiquitin carboxyl-terminal hydrolase 2 1

Data from ChEMBL 36 via Core Engine