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Compound Detail

CHEMBL5653591

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NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)SC(=C3CCCCC3)C2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5653591
Phase Preclinical
Structure Type MOL
InChI Key DGTNEKCXLFBLTR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

409.5
MW (Da)
2.19
ALogP
6
HBA
2
HBD
126.6
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H19N3O5S2
MW 409.49
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -1.73

Activity Summary

IC50 1 meas. best 4.94

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone acetyltransferase p300
CHEMBL3784
 IC50 4.94 4.94 11500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Histone acetyltransferase p300 IC50 = 11500.0 nM 4.94 Inhibition of p300 HAT domain (unknown origin) using Biotin-C6-GRGKGGKGLGKGGAK a... 28953875

Literature References

PubMed DOI Target Context # Activities
28953875 10.1038/nature24028 Histone acetyltransferase p300 1

Data from ChEMBL 36 via Core Engine