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Compound Detail

CHEMBL455693

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O=C(O)c1cc(/C=C/c2cc(C(=O)O)c(O)c(-c3ccccc3)c2)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL455693
Phase Preclinical
Structure Type MOL
InChI Key XTSOOHZPPRPYLZ-VOTSOKGWSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

376.4
MW (Da)
4.33
ALogP
4
HBA
4
HBD
115.1
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H16O6
MW 376.36
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness 0.40

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
18722777 10.1016/j.bmc.2008.07.090 Tyrosine-protein phosphatase non-receptor type 1 1

Data from ChEMBL 36 via Core Engine