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Compound Detail

CHEMBL4471626

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O=C(/C=C/c1ccccc1)c1ccc(OCc2cc(-c3ccccc3)no2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4471626
Phase Preclinical
Structure Type MOL
InChI Key MKECMRHSORMPCI-LFIBNONCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

381.4
MW (Da)
5.82
ALogP
4
HBA
0
HBD
52.3
PSA (Ų)
0.30
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H19NO3
MW 381.43
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.91

Activity Summary

EC50 1 meas. best 4.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosinase
CHEMBL3318
 EC50 4.11 4.11 78100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosinase EC50 = 78100.0 nM 4.11 Activation of mushroom tyrosinase using L-tyrosine as substrate preincubated for... 27622747

Literature References

PubMed DOI Target Context # Activities
27622747 10.1016/j.bmc.2016.08.066 B16-F10 1
27622747 10.1016/j.bmc.2016.08.066 Tyrosinase 1

Data from ChEMBL 36 via Core Engine