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Compound Detail

CHEMBL3774804

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CC(C)COc1ccc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3774804
Phase Preclinical
Structure Type MOL
InChI Key YAGHBCRCIAJKTI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

389.5
MW (Da)
2.71
ALogP
6
HBA
1
HBD
82.3
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H23N3O4S
MW 389.48
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.56

Activity Summary

IC50 1 meas. best 5.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transcription intermediary factor 1-alpha
CHEMBL3108638
 IC50 5.4 5.4 4000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Transcription intermediary factor 1-alpha IC50 = 4000.0 nM 5.4 Inhibition of recombinant human His-tagged TRIM24-PHD/bromodomain expressed in E... 26061247

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