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Compound Detail

CHEMBL1922186

BENZENEPENTACARBOXYLIC ACID
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O=C(O)c1cc(C(=O)O)c(C(=O)O)c(C(=O)O)c1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1922186
Name BENZENEPENTACARBOXYLIC ACID
Phase Preclinical
Structure Type MOL
InChI Key QNSOHXTZPUMONC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

298.2
MW (Da)
0.18
ALogP
5
HBA
5
HBD
186.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C11H6O10
MW 298.16
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 0.16

Activity Summary

IC50 1 meas. best 7.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mus musculus
CHEMBL375
 IC50 7.37 7.37 43.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mus musculus IC50 = 43.0 nM 7.37 Antihemorrhagic activity in ddY mouse assessed as inhibition of Protobothrops fl... 22047800

Literature References

PubMed DOI Target Context # Activities
22047800 10.1016/j.bmc.2011.10.013 Mus musculus 1
22047800 10.1016/j.bmc.2011.10.013 No relevant target 1

Data from ChEMBL 36 via Core Engine