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Compound Detail

CHEMBL5594635

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Cc1ccc(C(C)C)cc1OC(=O)COC(=O)c1cc(O)cc(O)c1

Basic Information

ChEMBL ID CHEMBL5594635
Phase Preclinical
Structure Type MOL
InChI Key FOGMOMOIVJOMPM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

344.4
MW (Da)
3.29
ALogP
6
HBA
2
HBD
93.1
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20O6
MW 344.36
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.14

Activity Summary

IC50 1 meas. best 7.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosinase
CHEMBL1973
IC50 7.8 7.8 16.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosinase IC50 = 16.0 nM 7.8 Inhibition of tyrosinase (unknown origin) 38830427

Literature References

PubMed DOI Target Context # Activities
38830427 10.1016/j.bmcl.2024.129826 Tyrosinase 1

Data from ChEMBL 36 via Core Engine