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Compound Detail

CHEMBL360162

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COc1ccc(CCC(=O)c2ccc(O)cc2O)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL360162
Phase Preclinical
Structure Type MOL
InChI Key BBTRLISIOKIATA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

302.3
MW (Da)
2.93
ALogP
5
HBA
2
HBD
76.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18O5
MW 302.33
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.51

Literature References

PubMed DOI Target Context # Activities
15225696 10.1016/j.bmcl.2004.05.071 Leishmania donovani 2
36940414 10.1021/acs.jmedchem.3c00012 Mushroom tyrosinase 2

Data from ChEMBL 36 via Core Engine