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Compound Detail

CHEMBL5428159

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CC(=O)Nc1ccc(-c2cc(NC(=O)c3ccc(S(C)(=O)=O)cc3Cl)ccc2Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5428159
Phase Preclinical
Structure Type MOL
InChI Key PJUZCRHNIJPMPK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

477.4
MW (Da)
5.27
ALogP
4
HBA
2
HBD
92.3
PSA (Ų)
0.52
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18Cl2N2O4S
MW 477.37
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.65

Literature References

PubMed DOI Target Context # Activities
37075624 10.1016/j.ejmech.2023.115369 Ubiquitin carboxyl-terminal hydrolase 28 2

Data from ChEMBL 36 via Core Engine