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Compound Detail

CHEMBL3808924

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C[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1cc(=O)c(O)c[nH]1

Basic Information

ChEMBL ID CHEMBL3808924
Phase Preclinical
Structure Type MOL
InChI Key FXPHTCJHQPNTSJ-NSHDSACASA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

346.3
MW (Da)
1.44
ALogP
6
HBA
3
HBD
117.7
PSA (Ų)
0.68
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 C17H18N2O6
MW 346.34
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.21

Activity Summary

IC50 1 meas. best 4.93

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosinase
CHEMBL3318
IC50 4.93 4.93 11760.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosinase IC50 = 11760.0 nM 4.93 Inhibition of monophenolase activity of mushroom tyrosinase using L-tyrosine as ... 27185329

Literature References

PubMed DOI Target Context # Activities
27185329 10.1016/j.bmcl.2016.05.006 Tyrosinase 1

Data from ChEMBL 36 via Core Engine