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Compound Detail

CHEMBL5397629

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COc1cc(CCC(=O)c2ccc(O)cc2O)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5397629
Phase Preclinical
Structure Type MOL
InChI Key SKTFNCVKVJXQGG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

332.4
MW (Da)
2.94
ALogP
6
HBA
2
HBD
85.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20O6
MW 332.35
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.63

Literature References

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

Data from ChEMBL 36 via Core Engine