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Compound Detail

CHEMBL3974951

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COc1ccc(Cc2ccccc2OC)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3974951
Phase Preclinical
Structure Type MOL
InChI Key KVCVHSGCINIKCE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

228.3
MW (Da)
3.29
ALogP
2
HBA
0
HBD
18.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H16O2
MW 228.29
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.34

Literature References

PubMed DOI Target Context # Activities
27919656 10.1016/j.bmcl.2016.11.069 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine