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Compound Detail

CHEMBL5420505

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

Basic Information

ChEMBL ID CHEMBL5420505
Phase Preclinical
Structure Type MOL
InChI Key KRWGROBSBQEQMW-FPYGCLRLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

296.3
MW (Da)
3.60
ALogP
3
HBA
2
HBD
74.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16O4
MW 296.32
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.18

Literature References

PubMed DOI Target Context # Activities
38283225 10.1039/d3md00451a NACHT, LRR and PYD domains-containing protein 3 1

Data from ChEMBL 36 via Core Engine