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Compound Detail

CHEMBL1910056

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CNC(=S)Nc1ccccc1

Basic Information

ChEMBL ID CHEMBL1910056
Phase Preclinical
Structure Type MOL
InChI Key IGEQFPWPMCIYDF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

166.2
MW (Da)
1.60
ALogP
1
HBA
2
HBD
24.1
PSA (Ų)
0.62
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 C8H10N2S
MW 166.25
Aromatic Rings 1
Heavy Atoms 11
NP-Likeness -1.84

Activity Summary

IC50 1 meas. best 4.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
B16
CHEMBL381
IC50 4.46 4.46 35000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
B16 IC50 = 35000.0 nM 4.46 Inhibition of alpha-MSH -stimulated melanogenesis in mouse B16 cells assessed as... 21978680

Literature References

PubMed DOI Target Context # Activities
21978680 10.1016/j.bmcl.2011.09.024 Tyrosinase 2
21978680 10.1016/j.bmcl.2011.09.024 B16 2
32738979 10.1016/j.bmcl.2020.127409 Unchecked 1

Data from ChEMBL 36 via Core Engine