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Compound Detail

CHEMBL4865676

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Cc1cc(/C=C/C(=O)c2ccc(-c3cccs3)cc2)cc(C)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4865676
Phase Preclinical
Structure Type MOL
InChI Key WYANTWYCXMAWEF-BJMVGYQFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

334.4
MW (Da)
5.63
ALogP
3
HBA
1
HBD
37.3
PSA (Ų)
0.50
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18O2S
MW 334.44
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.55

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