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Compound Detail

CHEMBL5219788

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O=C1NC(=S)NC(=O)C1=Cc1c(OCc2ccc(Cl)cc2)cccc1-c1cc(Cl)c(O)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5219788
Phase Preclinical
Structure Type MOL
InChI Key IJXBDMVPIKCLMD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

533.8
MW (Da)
5.51
ALogP
5
HBA
3
HBD
87.7
PSA (Ų)
0.23
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H15Cl3N2O4S
MW 533.82
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.72

Literature References

PubMed DOI Target Context # Activities
36150342 10.1016/j.bmc.2022.117006 Phosphotyrosine-protein phosphatase PTPB 2

Data from ChEMBL 36 via Core Engine