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Compound Detail

CHEMBL4851731

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CSc1ccc(C(=O)/C=C/c2cc(C)c(OCC(=O)O)c(C)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4851731
Phase Preclinical
Structure Type MOL
InChI Key HPYMCGXNFIZOGE-RUDMXATFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

356.4
MW (Da)
4.38
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.45
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20O4S
MW 356.44
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.51

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