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Compound Detail

CHEMBL4862784

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CSc1ccc(C(=O)/C=C/c2c(C)cc(O)cc2C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4862784
Phase Preclinical
Structure Type MOL
InChI Key DETNTGFGHWCWQT-CMDGGOBGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

298.4
MW (Da)
4.63
ALogP
3
HBA
1
HBD
37.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18O2S
MW 298.41
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.21

Literature References

PubMed DOI Target Context # Activities
33845232 10.1016/j.ejmech.2021.113417 NACHT, LRR and PYD domains-containing protein 3 1

Data from ChEMBL 36 via Core Engine