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Compound Detail

CHEMBL5570107

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CCCOc1ccc(-c2noc(C)c2-c2ccc(OCCC)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5570107
Phase Preclinical
Structure Type MOL
InChI Key BFDNYHCTWLMIAB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

351.4
MW (Da)
5.89
ALogP
4
HBA
0
HBD
44.5
PSA (Ų)
0.51
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25NO3
MW 351.45
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.80

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