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Compound Detail

CHEMBL5405611

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COc1cccc(CCC(=O)c2ccc(O)cc2O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5405611
Phase Preclinical
Structure Type MOL
InChI Key GIQXQTKQHGIYJC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

272.3
MW (Da)
2.92
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16O4
MW 272.30
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.33

Literature References

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

Data from ChEMBL 36 via Core Engine