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Compound Detail

CHEMBL450696

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NC(=S)N/N=C1\CCCC(=O)C1

Basic Information

ChEMBL ID CHEMBL450696
Phase Preclinical
Structure Type MOL
InChI Key SFRYLZIOCHYBAU-WEVVVXLNSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

185.2
MW (Da)
0.32
ALogP
3
HBA
2
HBD
67.5
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 C7H11N3OS
MW 185.25
Aromatic Rings 0
Heavy Atoms 12
NP-Likeness -0.90

Activity Summary

IC50 1 meas. best 4.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosinase
CHEMBL3318
IC50 4.82 4.82 15100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosinase IC50 = 15100.0 nM 4.82 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