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Compound Detail

CHEMBL1896936

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COc1cccc2sc(NC(=O)c3cccc(C(F)(F)F)c3)nc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1896936
Phase Preclinical
Structure Type MOL
InChI Key TWRZPPWZRCIMJF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

352.3
MW (Da)
4.58
ALogP
4
HBA
1
HBD
51.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H11F3N2O2S
MW 352.34
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -2.18

Literature References

PubMed DOI Target Context # Activities
38330847 10.1016/j.bmc.2024.117613 Alpha-synuclein 1

Data from ChEMBL 36 via Core Engine