Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL5425960

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CN(C)c1cc(O)c2c(c1)O/C(=C\c1ccc(O)cc1O)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5425960
Phase Preclinical
Structure Type MOL
InChI Key NKBBTRUKCCIAIS-WCSRMQSCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

313.3
MW (Da)
2.49
ALogP
6
HBA
3
HBD
90.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15NO5
MW 313.31
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.13

Activity Summary

IC50 1 meas. best 4.74

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosinase
CHEMBL1973
 IC50 4.74 4.74 18400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosinase IC50 = 18400.0 nM 4.74 Inhibition of tyrosinase in human MNT-1 cell lysates using L-DOPA as substrate a... 36462443

Literature References

PubMed DOI Target Context # Activities
36462443 10.1016/j.ejmech.2022.114972 Tyrosinase 1

Data from ChEMBL 36 via Core Engine