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Compound Detail

CHEMBL5571322

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Cc1onc(-c2ccc(OC(C)(C)C)cc2)c1-c1ccc(OC(C)(C)C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5571322
Phase Preclinical
Structure Type MOL
InChI Key MLRMXURXVXCYSE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

379.5
MW (Da)
6.67
ALogP
4
HBA
0
HBD
44.5
PSA (Ų)
0.51
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H29NO3
MW 379.50
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.66

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