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Compound Detail

CHEMBL1234326

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O=C(O)c1ncccc1O

Basic Information

ChEMBL ID CHEMBL1234326
Phase Preclinical
Structure Type MOL
InChI Key BRARRAHGNDUELT-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names

Molecular Properties

139.1
MW (Da)
0.49
ALogP
3
HBA
2
HBD
70.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C6H5NO3
MW 139.11
Aromatic Rings 1
Heavy Atoms 10
NP-Likeness -0.41

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
21189019 10.1021/jm101266s Matrix metalloproteinase-9 1
21189019 10.1021/jm101266s Neutrophil collagenase 1
21189019 10.1021/jm101266s Interstitial collagenase 1
21189019 10.1021/jm101266s 72 kDa type IV collagenase 1
21189019 10.1021/jm101266s Lethal factor 1
21189019 10.1021/jm101266s Tyrosinase 1
21189019 10.1021/jm101266s Stromelysin-1 1
21189019 10.1021/jm101266s Polyunsaturated fatty acid 5-lipoxygenase 1
21189019 10.1021/jm101266s Nitric oxide synthase, inducible 1
26322531 10.1021/acs.jmedchem.5b00871 D-amino-acid oxidase 1
26322531 10.1021/acs.jmedchem.5b00871 D-aspartate oxidase 1

Data from ChEMBL 36 via Core Engine