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Compound Detail

CHEMBL1892987

DINOSEB
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CCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O

Basic Information

ChEMBL ID CHEMBL1892987
Name DINOSEB
Phase Preclinical
Structure Type MOL
InChI Key OWZPCEFYPSAJFR-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

240.2
MW (Da)
2.72
ALogP
5
HBA
1
HBD
106.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C10H12N2O5
MW 240.22
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.73

Activity Summary

IC50 3 meas. best 6.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Photosystem Q(B) protein
CHEMBL2366557
IC50 6.4 5.9 400.0 2
Scenedesmus acutus
CHEMBL2367199
IC50 4.65 4.65 22387.2 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1271/bbb.58.1210 Scenedesmus acutus 11
- 10.1584/jpestics.26.236 Poa annua 9
- 10.1584/jpestics.26.236 Photosystem Q(B) protein 3
23112103 10.1002/ps.3413 Unchecked 1

Data from ChEMBL 36 via Core Engine