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Compound Detail

CHEMBL510328

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NC(=S)NN=C1CCCCC1

Basic Information

ChEMBL ID CHEMBL510328
Phase Preclinical
Structure Type MOL
InChI Key GYRDZVHNPFBIST-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

171.3
MW (Da)
1.14
ALogP
2
HBA
2
HBD
50.4
PSA (Ų)
0.46
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 C7H13N3S
MW 171.27
Aromatic Rings 0
Heavy Atoms 11
NP-Likeness -1.72

Activity Summary

IC50 1 meas. best 6.02

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosinase
CHEMBL3318
IC50 6.02 6.02 950.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosinase IC50 = 950.0 nM 6.02 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