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Compound Detail

CHEMBL3310962

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COc1cc(/C=N/N(C)C(=O)OCc2ccccc2)ccc1O.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3310962
Phase Preclinical
Structure Type MOL
InChI Key POJWHGMDFPDNLC-NWBUNABESA-N
Parent Compound CHEMBL3545447
Active Moiety CHEMBL3545447
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

314.3
MW (Da)
3.00
ALogP
5
HBA
1
HBD
71.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H19ClN2O4
MW 350.80
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.27

Activity Summary

IC50 1 meas. best 4.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
No relevant target
CHEMBL2362975
 IC50 4.58 4.58 26200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
No relevant target IC50 = 26200.0 nM 4.58 Antioxidant activity assessed as DPPH radical scavenging activity by UV-Visible ... 24924425

Literature References

PubMed DOI Target Context # Activities
24924425 10.1016/j.bmc.2014.05.034 No relevant target 3
24924425 10.1016/j.bmc.2014.05.034 NON-PROTEIN TARGET 2

Data from ChEMBL 36 via Core Engine