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Compound Detail

CHEMBL4759868

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COc1cc2c(cc1OC)C1Cc3cc(O)c(O)cc3NC1CC2

Basic Information

ChEMBL ID CHEMBL4759868
Phase Preclinical
Structure Type MOL
InChI Key MUAOWZOXUPYUNB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

327.4
MW (Da)
3.18
ALogP
5
HBA
3
HBD
71.0
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21NO4
MW 327.38
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 1.01

Activity Summary

IC50 1 meas. best 6.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone acetyltransferase p300
CHEMBL3784
IC50 6.16 6.16 690.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
33045661 10.1016/j.ejmech.2020.112861 Histone acetyltransferase p300 1

Data from ChEMBL 36 via Core Engine