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Compound Detail

CHEMBL1374420

TEREPHTHALIC ACID
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O=C(O)c1ccc(C(=O)O)cc1

Basic Information

ChEMBL ID CHEMBL1374420
Name TEREPHTHALIC ACID
Phase Preclinical
Structure Type MOL
InChI Key KKEYFWRCBNTPAC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

166.1
MW (Da)
1.08
ALogP
2
HBA
2
HBD
74.6
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C8H6O4
MW 166.13
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness -0.04

Activity Summary

IC50 1 meas. best 7.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mus musculus
CHEMBL375
IC50 7.05 7.05 90.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mus musculus IC50 = 90.0 nM 7.05 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 3
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
22047800 10.1016/j.bmc.2011.10.013 No relevant target 1
26154240 10.1016/j.bmc.2015.06.042 Curvularia lunata 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1

Data from ChEMBL 36 via Core Engine