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Compound Detail

CHEMBL3780738

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CNCc1cccc(-c2ccsc2)c1

Basic Information

ChEMBL ID CHEMBL3780738
Phase Preclinical
Structure Type MOL
InChI Key SNXSVYZFYWVLHK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

203.3
MW (Da)
3.13
ALogP
2
HBA
1
HBD
12.0
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H13NS
MW 203.31
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -1.44

Activity Summary

IC50 1 meas. best 4.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein arginine N-methyltransferase 6
CHEMBL1275221
IC50 4.16 4.16 69000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
26824386 10.1021/acs.jmedchem.5b01772 Protein arginine N-methyltransferase 6 1

Data from ChEMBL 36 via Core Engine