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Compound Detail

CHEMBL4088436

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COc1ccc2oc(=O)cc(-c3ccccc3)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4088436
Phase Preclinical
Structure Type MOL
InChI Key LYTZXVVWKTYCOW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

252.3
MW (Da)
3.47
ALogP
3
HBA
0
HBD
39.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H12O3
MW 252.27
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -0.05

Literature References

PubMed DOI Target Context # Activities
28174064 10.1016/j.bmc.2017.01.035 A549 1
28174064 10.1016/j.bmc.2017.01.035 Unchecked 1
28174064 10.1016/j.bmc.2017.01.035 No relevant target 1

Data from ChEMBL 36 via Core Engine