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Compound Detail

CHEMBL3545489

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

Basic Information

ChEMBL ID CHEMBL3545489
Phase Preclinical
Structure Type MOL
InChI Key WOOUCJDJKDVRLQ-YBFXNURJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
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 C18H20N2O5
MW 344.37
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.29

Data from ChEMBL 36 via Core Engine