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Compound Detail

CHEMBL5564697

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O=C(CC(S)C(F)(F)F)NCc1ccc(C(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5564697
Phase Preclinical
Structure Type MOL
InChI Key MTSCUEPSTMYBID-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

307.3
MW (Da)
2.25
ALogP
3
HBA
3
HBD
66.4
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H12F3NO3S
MW 307.29
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.69

Literature References

PubMed DOI Target Context # Activities
38242072 10.1016/j.ejmech.2024.116140 Unchecked 1

Data from ChEMBL 36 via Core Engine