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Compound Detail

CHEMBL3774967

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CSc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N3C)cc1

Basic Information

ChEMBL ID CHEMBL3774967
Phase Preclinical
Structure Type MOL
InChI Key KLNOGGRQXICGJQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

348.4
MW (Da)
2.73
ALogP
4
HBA
1
HBD
66.5
PSA (Ų)
0.86
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 C16H16N2O3S2
MW 348.45
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.80

Activity Summary

IC50 1 meas. best 4.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transcription intermediary factor 1-alpha
CHEMBL3108638
IC50 4.77 4.77 17000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
26061247 10.1021/acs.jmedchem.5b00405 Transcription intermediary factor 1-alpha 1

Data from ChEMBL 36 via Core Engine