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Compound Detail

CHEMBL5220271

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O=C1NC(=S)NC(=O)C1=Cc1cc(-c2ccc(OC(F)(F)F)cc2)ccc1OCc1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5220271
Phase Preclinical
Structure Type MOL
InChI Key FPEQJXCBOBKDBG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

532.9
MW (Da)
5.40
ALogP
5
HBA
2
HBD
76.7
PSA (Ų)
0.25
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H16ClF3N2O4S
MW 532.93
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.08

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