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Compound Detail

CHEMBL5646386

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O=C(CCNC(=O)OCc1cc(=O)c(O)co1)OCc1cc(=O)c(O)co1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5646386
Phase Preclinical
Structure Type MOL
InChI Key GMCHYBVARFYJJW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

381.3
MW (Da)
0.36
ALogP
10
HBA
3
HBD
165.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15NO10
MW 381.29
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.05

Activity Summary

IC50 1 meas. best 5.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mushroom tyrosinase
CHEMBL6066154
 IC50 5.16 5.16 7000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mushroom tyrosinase IC50 = 7000.0 nM 5.16 Inhibition of mushroom Tyrosinase 37487307

Literature References

PubMed DOI Target Context # Activities
37487307 10.1016/j.ejmech.2023.115672 Mushroom tyrosinase 1

Data from ChEMBL 36 via Core Engine