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Compound Detail

CHEMBL296024

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O=C(O)c1ccc(C(=O)O)c(C(=O)O)c1

Basic Information

ChEMBL ID CHEMBL296024
Phase Preclinical
Structure Type MOL
InChI Key ARCGXLSVLAOJQL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

210.1
MW (Da)
0.78
ALogP
3
HBA
3
HBD
111.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C9H6O6
MW 210.14
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -0.06

Activity Summary

IC50 1 meas. best 7.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mus musculus
CHEMBL375
IC50 7.21 7.21 62.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mus musculus IC50 = 62.0 nM 7.21 Antihemorrhagic activity in ddY mouse assessed as inhibition of Protobothrops fl... 22047800

Literature References

PubMed DOI Target Context # Activities
6094812 10.1021/jm00378a021 ADMET 1
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