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Compound Detail

CHEMBL5565382

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CC(C)CNC(=O)Cc1ccc(/C=C/c2ccc3c(c2)OCO3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5565382
Phase Preclinical
Structure Type MOL
InChI Key SANDFCIIAGECCB-ZZXKWVIFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

337.4
MW (Da)
3.90
ALogP
3
HBA
1
HBD
47.6
PSA (Ų)
0.81
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23NO3
MW 337.42
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.25

Literature References

PubMed DOI Target Context # Activities
38215588 10.1016/j.ejmech.2023.116113 Bifunctional epoxide hydrolase 2 2

Data from ChEMBL 36 via Core Engine