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Compound Detail

CHEMBL335258

TEREPHTHALAMIC ACID
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NC(=O)c1ccc(C(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL335258
Name TEREPHTHALAMIC ACID
Phase Preclinical
Structure Type MOL
InChI Key JMHSCWJIDIKGNZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

165.2
MW (Da)
0.48
ALogP
2
HBA
2
HBD
80.4
PSA (Ų)
0.67
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 C8H7NO3
MW 165.15
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness -0.44

Literature References

PubMed DOI Target Context # Activities
9406595 10.1021/jm970479e Sialidase-3 1
35016113 10.1016/j.ejmech.2021.114091 Sigma intracellular receptor 2 1
35016113 10.1016/j.ejmech.2021.114091 Sigma non-opioid intracellular receptor 1 1
35016113 10.1016/j.ejmech.2021.114091 Mu-type opioid receptor 1
35016113 10.1016/j.ejmech.2021.114091 Delta-type opioid receptor 1
35016113 10.1016/j.ejmech.2021.114091 Kappa-type opioid receptor 1
35016113 10.1016/j.ejmech.2021.114091 Unchecked 1
35016113 10.1016/j.ejmech.2021.114091 Mus musculus 1

Data from ChEMBL 36 via Core Engine