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Compound Detail

CHEMBL5285600

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C[C@@H](CC(=O)N1CCC(O)(Cn2cnc3cc(Cl)ccc3c2=O)CC1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5285600
Phase Preclinical
Structure Type MOL
InChI Key YRRYGKYWFQIDQT-KRWDZBQOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

439.9
MW (Da)
3.60
ALogP
5
HBA
1
HBD
75.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26ClN3O3
MW 439.94
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.93

Activity Summary

IC50 1 meas. best 4.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ubiquitin carboxyl-terminal hydrolase 7
CHEMBL2157850
 IC50 4.4 4.4 40000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Ubiquitin carboxyl-terminal hydrolase 7 IC50 = 40000.0 nM 4.4 Inhibition of human USP7 using Ub-AMC as substrate 32092586

Literature References

PubMed DOI Target Context # Activities
32092586 10.1016/j.ejmech.2020.112107 Ubiquitin carboxyl-terminal hydrolase 7 1

Data from ChEMBL 36 via Core Engine