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Compound Detail

CHEMBL222543

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O=C1/C(=C/c2ccc(O)c(C(=O)O)c2)CCC/C1=C\c1ccc(O)c(C(=O)O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL222543
Phase Preclinical
Structure Type MOL
InChI Key VLKHOGUOIBBDSJ-VOMDNODZSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

394.4
MW (Da)
3.71
ALogP
5
HBA
4
HBD
132.1
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18O7
MW 394.38
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 0.03

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
17348637 10.1021/jm060943s Histone acetyltransferase p300 1

Data from ChEMBL 36 via Core Engine