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Compound Detail

CHEMBL595595

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O=C1NC(=O)C(c2cccc(O)c2)=C1c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL595595
Phase Preclinical
Structure Type MOL
InChI Key CXGOPCCYRSQGQP-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

265.3
MW (Da)
1.96
ALogP
3
HBA
2
HBD
66.4
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H11NO3
MW 265.27
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.31

Activity Summary

IC50 2 meas. best 4.86

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAW264.7
CHEMBL612557
 IC50 4.86 4.86 13830.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RAW264.7 IC50 = 13830.0 nM 4.86 Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... 20004572

Literature References

PubMed DOI Target Context # Activities
20004572 10.1016/j.bmcl.2009.11.067 RAW264.7 2

Data from ChEMBL 36 via Core Engine