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Compound Detail

CHEMBL4867318

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Cc1ccc(-c2ccc(C(=O)/C=C/c3cc(C)c(O)c(C)c3)cc2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4867318
Phase Preclinical
Structure Type MOL
InChI Key HXESECVVROEVID-BJMVGYQFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

348.5
MW (Da)
5.94
ALogP
3
HBA
1
HBD
37.3
PSA (Ų)
0.47
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 C22H20O2S
MW 348.47
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.44

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