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Compound Detail

CHEMBL5220193

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COC(=O)c1ccc(-c2ccc(OCc3ccc(Cl)cc3)c(C=C3C(=O)NC(=S)NC3=O)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5220193
Phase Preclinical
Structure Type MOL
InChI Key BOKVPWIFLCBCMS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

507.0
MW (Da)
4.29
ALogP
6
HBA
2
HBD
93.7
PSA (Ų)
0.22
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H19ClN2O5S
MW 506.97
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.89

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