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Compound Detail

CHEMBL229466

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O=C(O)c1cccc(-c2ccccc2)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL229466
Phase Preclinical
Structure Type MOL
InChI Key ZJWUEJOPKFYFQD-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

214.2
MW (Da)
2.76
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H10O3
MW 214.22
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness 0.16

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
17692525 10.1016/j.bmc.2007.07.010 Tyrosine-protein phosphatase non-receptor type 1 1
309947 10.1021/jm00209a001 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine