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Compound Detail

CHEMBL72332

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O=C(O)c1cc(C(=O)O)c2cccc(O)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL72332
Phase Preclinical
Structure Type MOL
InChI Key JGQUGXNCZRPZFH-UHFFFAOYSA-N
0
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

233.2
MW (Da)
1.34
ALogP
4
HBA
3
HBD
107.7
PSA (Ų)
0.72
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 C11H7NO5
MW 233.18
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness 0.01

Activity Summary

IC50 1 meas.
Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
12014964 10.1021/jm010261z Vesicular glutamate transporter 3 3
10498218 10.1016/s0960-894x(99)00444-8 Sodium-dependent phosphate transport protein 1 1
24686010 10.1016/j.ejmech.2014.03.056 Unchecked 1

Data from ChEMBL 36 via Core Engine