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

CHEMBL4105403

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
NC(=S)N/N=C/c1ccc(NC(=S)N/N=C/c2ccccn2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4105403
Phase Preclinical
Structure Type MOL
InChI Key XBSKVGVSJHQNTP-VNIJRHKQSA-N
0
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

357.5
MW (Da)
1.57
ALogP
5
HBA
4
HBD
99.7
PSA (Ų)
0.37
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H15N7S2
MW 357.47
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -2.19

Activity Summary

IC50 1 meas.
Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
28583798 10.1016/j.bmcl.2017.05.057 Mushroom tyrosinase 5

Data from ChEMBL 36 via Core Engine