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

CHEMBL4164288

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
CCC/C(=N\NC(N)=S)c1ccc(C)cc1

Basic Information

ChEMBL ID CHEMBL4164288
Phase Preclinical
Structure Type MOL
InChI Key ULZZYSJOVWPSQF-SDNWHVSQSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

235.4
MW (Da)
2.33
ALogP
2
HBA
2
HBD
50.4
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H17N3S
MW 235.36
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -1.56

Activity Summary

IC50 1 meas. best 4.45

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosinase
CHEMBL3318
IC50 4.45 4.45 35350.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosinase IC50 = 35350.0 nM 4.45 Inhibition of mushroom tyrosinase diphenolase activity assessed as decrease in d... 28865277

Literature References

PubMed DOI Target Context # Activities
28865277 10.1016/j.ejmech.2017.08.033 Tyrosinase 1

Data from ChEMBL 36 via Core Engine