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Compound Detail

CHEMBL4171541

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

Basic Information

ChEMBL ID CHEMBL4171541
Phase Preclinical
Structure Type MOL
InChI Key WVDGHGISNBRCAO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

182.1
MW (Da)
0.79
ALogP
3
HBA
3
HBD
94.8
PSA (Ų)
0.63
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 C8H6O5
MW 182.13
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness 0.26

Literature References

PubMed DOI Target Context # Activities
30351002 10.1021/acs.jmedchem.8b01363 Unchecked 2

Data from ChEMBL 36 via Core Engine