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Compound Detail

CHEMBL4463984

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CCN(CC)C(=O)/C=C/c1ccc(O)cc1O

Basic Information

ChEMBL ID CHEMBL4463984
Phase Preclinical
Structure Type MOL
InChI Key MUVKMPNGDZPBBV-SOFGYWHQSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

235.3
MW (Da)
1.98
ALogP
3
HBA
2
HBD
60.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H17NO3
MW 235.28
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 0.03

Activity Summary

IC50 1 meas. best 7.95

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosinase
CHEMBL3318
IC50 7.95 7.95 11.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosinase IC50 = 11.2 nM 7.95 Inhibition of mushroom tyrosinase using L-tyrosine as substrate incubated for 30... 30347330

Literature References

PubMed DOI Target Context # Activities
30347330 10.1016/j.ejmech.2018.10.025 Tyrosinase 6
30347330 10.1016/j.ejmech.2018.10.025 B16-F10 3
30347330 10.1016/j.ejmech.2018.10.025 No relevant target 1
31376564 10.1016/j.ejmech.2019.07.064 Tyrosinase 1

Data from ChEMBL 36 via Core Engine