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Compound Detail

CHEMBL5219262

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COc1ccc(-c2ccc(OCc3ccc(Cl)cc3)c(C=C3C(=O)NC(=S)NC3=O)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5219262
Phase Preclinical
Structure Type MOL
InChI Key GQHUYZOZFYLKOZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

479.0
MW (Da)
4.51
ALogP
5
HBA
2
HBD
76.7
PSA (Ų)
0.31
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H19ClN2O4S
MW 478.96
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.93

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