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Compound Detail

CHEMBL505588

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C/C=C/C=N\NC(N)=S

Basic Information

ChEMBL ID CHEMBL505588
Phase Preclinical
Structure Type MOL
InChI Key OWTTWSQTSRNFHY-SWBALALESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

143.2
MW (Da)
0.38
ALogP
2
HBA
2
HBD
50.4
PSA (Ų)
0.33
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C5H9N3S
MW 143.21
Aromatic Rings 0
Heavy Atoms 9
NP-Likeness -1.33

Activity Summary

IC50 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosinase
CHEMBL3318
IC50 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosinase IC50 = 1000.0 nM 6.0 Inhibition of mushroom tyrosinase 18524420

Literature References

PubMed DOI Target Context # Activities
18524420 10.1016/j.ejmech.2008.04.002 Tyrosinase 1

Data from ChEMBL 36 via Core Engine