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Compound Detail

CHEMBL3310960

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

Basic Information

ChEMBL ID CHEMBL3310960
Phase Preclinical
Structure Type MOL
InChI Key IAROJAHLCXMLDF-YLFUTEQJSA-N
Parent Compound CHEMBL3545489
Active Moiety CHEMBL3545489
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

344.4
MW (Da)
3.01
ALogP
6
HBA
1
HBD
80.6
PSA (Ų)
0.64
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 C18H21ClN2O5
MW 380.83
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.29

Activity Summary

IC50 1 meas.

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