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Compound Detail

CHEMBL222573

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O=C(/C=C(O)/C=C/c1ccc(O)c(C(=O)O)c1)/C=C/c1ccc(O)c(C(=O)O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL222573
Phase Preclinical
Structure Type MOL
InChI Key WVYCSVFXTFQCTM-XVVYLEPSSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

396.4
MW (Da)
3.23
ALogP
6
HBA
5
HBD
152.4
PSA (Ų)
0.27
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H16O8
MW 396.35
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 0.75

Activity Summary

IC50 1 meas. best 4.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone acetyltransferase p300
CHEMBL3784
 IC50 4.68 4.68 21000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Histone acetyltransferase p300 IC50 = 21000.0 nM 4.68 Inhibition of GST-p300 HAT assessed as histone acetylation 17348637

Literature References

PubMed DOI Target Context # Activities
17348637 10.1021/jm060943s Histone acetyltransferase p300 2
17348637 10.1021/jm060943s HeLa 1
17348637 10.1021/jm060943s Histone acetyltransferase KAT2A 1
17348637 10.1021/jm060943s Histone acetyltransferase KAT2B 1

Data from ChEMBL 36 via Core Engine