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Compound Detail

CHEMBL5560295

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CNc1nc(Cl)nc2c1ncn2Cc1ccccc1NS(C)(=O)=O

Basic Information

ChEMBL ID CHEMBL5560295
Phase Preclinical
Structure Type MOL
InChI Key OHTLTHBFWIOGEU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

366.8
MW (Da)
1.94
ALogP
7
HBA
2
HBD
101.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H15ClN6O2S
MW 366.83
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.51

Activity Summary

IC50 1 meas. best 6.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
YTH domain-containing protein 1
CHEMBL5169187
IC50 6.34 6.34 460.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
YTH domain-containing protein 1 IC50 = 460.0 nM 6.34 Inhibition of GST-tagged YTHDC1 (unknown origin) by HTRF assay 38787793

Literature References

PubMed DOI Target Context # Activities
38787793 10.1021/acs.jmedchem.4c00599 YTH domain-containing protein 1 1
38787793 10.1021/acs.jmedchem.4c00599 THP-1 1

Data from ChEMBL 36 via Core Engine