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Compound Detail

CHEMBL3775297

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Cn1c(=O)n(C)c2cc(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)ccc21

Basic Information

ChEMBL ID CHEMBL3775297
Phase Preclinical
Structure Type MOL
InChI Key OWJYXYCKKROXCL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

399.5
MW (Da)
3.73
ALogP
5
HBA
1
HBD
73.1
PSA (Ų)
0.73
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 C21H25N3O3S
MW 399.52
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.34

Activity Summary

IC50 1 meas. best 5.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transcription intermediary factor 1-alpha
CHEMBL3108638
IC50 5.77 5.77 1700.0 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