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Compound Detail

CHEMBL481194

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CCOC(=O)/C=C/c1cc(=O)c(O)co1

Basic Information

ChEMBL ID CHEMBL481194
Phase Preclinical
Structure Type MOL
InChI Key VZBKDVHDPQUMLH-ONEGZZNKSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

210.2
MW (Da)
0.92
ALogP
5
HBA
1
HBD
76.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H10O5
MW 210.19
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 0.88

Activity Summary

IC50 3 meas. best 4.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosinase
CHEMBL3318
IC50 4.44 4.44 36300.0 1
Mushroom tyrosinase
CHEMBL6066154
IC50 4.44 4.44 36000.0 1
Molecular identity unknown
CHEMBL612546
IC50 4.44 4.44 36000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosinase IC50 = 36300.0 nM 4.44 Inhibition of mushroom tyrosinase 19022667
Molecular identity unknown IC50 = 36000.0 nM 4.44 Inhibition of human Tyrosine kinase 37487307
Mushroom tyrosinase IC50 = 36000.0 nM 4.44 Inhibition of mushroom Tyrosinase 37487307

Literature References

PubMed DOI Target Context # Activities
19022667 10.1016/j.bmcl.2008.10.119 B16-F10 4
19022667 10.1016/j.bmcl.2008.10.119 Tyrosinase 1
37487307 10.1016/j.ejmech.2023.115672 Molecular identity unknown 1
37487307 10.1016/j.ejmech.2023.115672 Mushroom tyrosinase 1

Data from ChEMBL 36 via Core Engine