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Compound Detail

CHEMBL5418437

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COc1ccc(CCC(=O)c2ccc(O)cc2O)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5418437
Phase Preclinical
Structure Type MOL
InChI Key GCOFCBCRRXZXNC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

288.3
MW (Da)
2.63
ALogP
5
HBA
3
HBD
87.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16O5
MW 288.30
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.73

Literature References

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

Data from ChEMBL 36 via Core Engine