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Compound Detail

CHEMBL415726

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

Basic Information

ChEMBL ID CHEMBL415726
Phase Preclinical
Structure Type MOL
InChI Key GFMAOCXRFKDDDX-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

300.3
MW (Da)
2.46
ALogP
4
HBA
4
HBD
98.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16N2O4
MW 300.31
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.49

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