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Compound Detail

CHEMBL272958

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C/C(CCc1ccc(O)cc1)=N/NC(N)=S
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL272958
Phase Preclinical
Structure Type MOL
InChI Key MOEKCSYKLBVRDB-JYRVWZFOSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

237.3
MW (Da)
1.53
ALogP
3
HBA
3
HBD
70.6
PSA (Ų)
0.42
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H15N3OS
MW 237.33
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.78

Activity Summary

IC50 2 meas. best 6.27

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosinase
CHEMBL3318
 IC50 6.27 6.27 540.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosinase IC50 = 540.0 nM 6.27 Inhibition of mushroom tyrosinase 18326070
Tyrosinase IC50 = 540.0 nM 6.27 Inhibition of mushroom tyrosinase 18524420

Literature References

PubMed DOI Target Context # Activities
18326070 10.1016/j.bmc.2007.10.102 Tyrosinase 1
18524420 10.1016/j.ejmech.2008.04.002 Tyrosinase 1

Data from ChEMBL 36 via Core Engine