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Compound Detail

CHEMBL6005617

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COC(=O)c1cc(Br)c2c(c1)N(C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)CC2

Basic Information

ChEMBL ID CHEMBL6005617
Phase Preclinical
Structure Type MOL
InChI Key APNYYKPFLAHMIB-HNNXBMFYSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

453.3
MW (Da)
3.52
ALogP
5
HBA
0
HBD
76.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H25BrN2O5
MW 453.33
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness -0.83

Activity Summary

IC50 4 meas. best 5.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ubiquitin carboxyl-terminal hydrolase 30
CHEMBL4523357
IC50 5.26 5.26 5500.0 2
Ubiquitin carboxyl-terminal hydrolase isozyme L1
CHEMBL6159
IC50 5.26 5.26 5500.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine