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Compound Detail

CHEMBL2348689

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CN(C)c1ccc(/N=N/c2ccc(C3=N/C(=C/c4ccc(F)cc4)C(=O)O3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2348689
Phase Preclinical
Structure Type MOL
InChI Key WCRMZUNRWGJCNK-GENGHUQRSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

414.4
MW (Da)
5.65
ALogP
6
HBA
0
HBD
66.6
PSA (Ų)
0.31
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H19FN4O2
MW 414.44
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.27

Activity Summary

IC50 1 meas. best 5.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosinase
CHEMBL3318
 IC50 5.7 5.7 2010.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosinase IC50 = 2010.0 nM 5.7 Inhibition of diphenolase activity of mushroom tyrosinase assessed as decrease i... 23411395

Literature References

PubMed DOI Target Context # Activities
23411395 10.1016/j.bmc.2013.01.014 B16-F10 2
23411395 10.1016/j.bmc.2013.01.014 Tyrosinase 1

Data from ChEMBL 36 via Core Engine