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Compound Detail

CHEMBL1169959

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COc1cc(/C=N/NC(=O)OCc2ccccc2)cc(OC)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1169959
Phase Preclinical
Structure Type MOL
InChI Key FANSCVFJSLXLIS-VCHYOVAHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

330.3
MW (Da)
2.67
ALogP
6
HBA
2
HBD
89.4
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18N2O5
MW 330.34
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.64

Activity Summary

IC50 1 meas. best 4.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
No relevant target
CHEMBL2362975
 IC50 4.22 4.22 60500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
No relevant target IC50 = 60500.0 nM 4.22 Antioxidant activity assessed as DPPH radical scavenging activity by UV-Visible ... 24924425

Literature References

PubMed DOI Target Context # Activities
20403645 10.1016/j.ejmech.2010.03.031 NON-PROTEIN TARGET 5
24924425 10.1016/j.bmc.2014.05.034 No relevant target 3
24924425 10.1016/j.bmc.2014.05.034 NON-PROTEIN TARGET 2
20403645 10.1016/j.ejmech.2010.03.031 ADMET 1

Data from ChEMBL 36 via Core Engine