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Compound Detail

CHEMBL1241673

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CC(=O)O/N=C1/C(=O)N(Cc2cc(Cl)ccc2Cl)c2ccc(Br)cc21

Basic Information

ChEMBL ID CHEMBL1241673
Phase Preclinical
Structure Type MOL
InChI Key WFWZTHILOPGFPK-LTGZKZEYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

442.1
MW (Da)
4.57
ALogP
4
HBA
0
HBD
59.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H11BrCl2N2O3
MW 442.10
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.44

Activity Summary

IC50 2 meas. best 6.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ubiquitin carboxyl-terminal hydrolase isozyme L1
CHEMBL6159
IC50 6.06 6.06 880.0 1
Ubiquitin carboxyl-terminal hydrolase isozyme L3
CHEMBL6195
IC50 4.6 4.6 25000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17948018 10.1038/nchembio.2007.43 Ubiquitin carboxyl-terminal hydrolase isozyme L1 1
17948018 10.1038/nchembio.2007.43 Ubiquitin carboxyl-terminal hydrolase isozyme L3 1

Data from ChEMBL 36 via Core Engine