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Compound Detail

CHEMBL5412138

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COc1ccc(C(=O)CCc2ccc(OC)cc2OC)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5412138
Phase Preclinical
Structure Type MOL
InChI Key DFWFGONGXNXMFN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

300.4
MW (Da)
3.53
ALogP
4
HBA
0
HBD
44.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20O4
MW 300.35
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.13

Literature References

PubMed DOI Target Context # Activities
36940414 10.1021/acs.jmedchem.3c00012 Mushroom tyrosinase 2

Data from ChEMBL 36 via Core Engine