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Compound Detail

CHEMBL5564448

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O=C(O)Cc1onc(-c2ccc(OCc3ccccc3)cc2)c1-c1ccc(OCc2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5564448
Phase Preclinical
Structure Type MOL
InChI Key HOJRQRYTTARUDP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

491.5
MW (Da)
6.79
ALogP
5
HBA
1
HBD
81.8
PSA (Ų)
0.23
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H25NO5
MW 491.54
Aromatic Rings 5
Heavy Atoms 37
NP-Likeness -0.37

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