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Compound Detail

CHEMBL483262

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NC(=S)NN=C1CCCC1

Basic Information

ChEMBL ID CHEMBL483262
Phase Preclinical
Structure Type MOL
InChI Key PKHFATUAFMXAKP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

157.2
MW (Da)
0.75
ALogP
2
HBA
2
HBD
50.4
PSA (Ų)
0.44
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H11N3S
MW 157.24
Aromatic Rings 0
Heavy Atoms 10
NP-Likeness -1.85

Activity Summary

IC50 1 meas. best 6.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosinase
CHEMBL3318
IC50 6.77 6.77 170.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosinase IC50 = 170.0 nM 6.77 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