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Compound Detail

CHEMBL442026

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O=C(CCCCC(=O)Nc1ccc(O)cc1)Nc1ccc(O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL442026
Phase Preclinical
Structure Type MOL
InChI Key OGQBMXHOMRAMAK-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

328.4
MW (Da)
3.24
ALogP
4
HBA
4
HBD
98.7
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20N2O4
MW 328.37
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.39

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
3100804 10.1021/jm00385a031 Cyclooxygenase 2
3100804 10.1021/jm00385a031 Unchecked 1

Data from ChEMBL 36 via Core Engine