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Compound Detail

CHEMBL3310961

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COc1cc(/C=N/N(C)C(=O)OCc2ccccc2)cc(OC)c1OC.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3310961
Phase Preclinical
Structure Type MOL
InChI Key CJTDLOGRXGJMTL-BGDWDFROSA-N
Parent Compound CHEMBL3545490
Active Moiety CHEMBL3545490
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

358.4
MW (Da)
3.31
ALogP
6
HBA
0
HBD
69.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H23ClN2O5
MW 394.86
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.42

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