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Compound Detail

CHEMBL158240

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O=C(NO)c1ccc(O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL158240
Phase Preclinical
Structure Type MOL
InChI Key QEQCHLVBRHGAQL-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

153.1
MW (Da)
0.51
ALogP
3
HBA
3
HBD
69.6
PSA (Ų)
0.41
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H7NO3
MW 153.14
Aromatic Rings 1
Heavy Atoms 11
NP-Likeness -0.18

Activity Summary

IC50 3 meas.

Literature References

PubMed DOI Target Context # Activities
2308149 10.1021/jm00165a017 Polyunsaturated fatty acid 5-lipoxygenase 2
458812 10.1021/jm00191a027 L1210 2
3820229 10.1021/jm00386a022 Polyunsaturated fatty acid 5-lipoxygenase 1
17157014 10.1016/j.bmcl.2006.11.053 Unchecked 1
458812 10.1021/jm00191a027 Unchecked 1

Data from ChEMBL 36 via Core Engine