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Compound Detail

CHEMBL5221099

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O=C1NC(=S)NC(=O)C1=Cc1cc(-c2ccccc2)ccc1OCc1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5221099
Phase Preclinical
Structure Type MOL
InChI Key HQHUXNLGJZZXNA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

448.9
MW (Da)
4.50
ALogP
4
HBA
2
HBD
67.4
PSA (Ų)
0.34
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H17ClN2O3S
MW 448.93
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.00

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