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Compound Detail

CHEMBL4446385

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CC(=O)N1CC(C)Sc2cc(S(=O)(=O)NCc3ccccc3)ccc21

Basic Information

ChEMBL ID CHEMBL4446385
Phase Preclinical
Structure Type MOL
InChI Key IQRULRYIWLUUMG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

376.5
MW (Da)
3.01
ALogP
4
HBA
1
HBD
66.5
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20N2O3S2
MW 376.50
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.58

Activity Summary

IC50 1 meas. best 5.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone acetyltransferase p300
CHEMBL3784
IC50 5.47 5.47 3400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Histone acetyltransferase p300 IC50 = 3400.0 nM 5.47 Inhibition of P300 (unknown origin) 31195169

Literature References

PubMed DOI Target Context # Activities
31195169 10.1016/j.ejmech.2019.05.078 Histone acetyltransferase p300 1

Data from ChEMBL 36 via Core Engine