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Compound Detail

CHEMBL1807492

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COc1ccc2c(c1)O/C(=C\c1ccc(O)cc1O)C2=O

Basic Information

ChEMBL ID CHEMBL1807492
Phase Preclinical
Structure Type MOL
InChI Key NYJHNOWKRFWJRW-UUASQNMZSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

284.3
MW (Da)
2.72
ALogP
5
HBA
2
HBD
76.0
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H12O5
MW 284.27
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.17

Activity Summary

IC50 4 meas. best 5.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosinase
CHEMBL1973
IC50 5.16 5.16 6900.0 1
RAW264.7
CHEMBL612557
IC50 5.06 4.61 8800.0 3

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21723122 10.1016/j.bmcl.2011.05.117 RAW264.7 3
36462443 10.1016/j.ejmech.2022.114972 Tyrosinase 1

Data from ChEMBL 36 via Core Engine