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Compound Detail

CHEMBL5583683

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COc1ccc(-c2noc(C)c2-c2ccc(Oc3ccccc3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5583683
Phase Preclinical
Structure Type MOL
InChI Key OYHAYRNTWGZSRQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

357.4
MW (Da)
6.12
ALogP
4
HBA
0
HBD
44.5
PSA (Ų)
0.43
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H19NO3
MW 357.41
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.73

Literature References

PubMed DOI Target Context # Activities
38219659 10.1016/j.ejmech.2024.116135 Prostaglandin G/H synthase 1 2
38219659 10.1016/j.ejmech.2024.116135 Prostaglandin G/H synthase 2 2

Data from ChEMBL 36 via Core Engine