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Compound Detail

CHEMBL307782

3-AMINOBENZOIC ACID
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Nc1cccc(C(=O)O)c1

Basic Information

ChEMBL ID CHEMBL307782
Name 3-AMINOBENZOIC ACID
Phase Preclinical
Structure Type MOL
InChI Key XFDUHJPVQKIXHO-UHFFFAOYSA-N
0
Targets
2
Activities
2
Assay Types
0
PK Parameters
13
Publications
0
Known Names

Molecular Properties

137.1
MW (Da)
0.97
ALogP
2
HBA
2
HBD
63.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C7H7NO2
MW 137.14
Aromatic Rings 1
Heavy Atoms 10
NP-Likeness -0.39

Activity Summary

IC50 1 meas.
Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
1527790 10.1021/jm00096a014 Rattus norvegicus 2
17988865 10.1016/j.bmcl.2007.10.060 4-aminobutyrate aminotransferase, mitochondrial 2
21955456 10.1016/j.bmc.2011.08.058 Proton-coupled amino acid transporter 1 2
28495381 10.1016/j.bmc.2017.04.037 Casein kinase II subunit alpha 2
8667357 10.1021/jm950589q ADMET 1
1527790 10.1021/jm00096a014 No relevant target 1
1527790 10.1021/jm00096a014 ADMET 1
9406595 10.1021/jm970479e Sialidase-3 1
8411009 10.1021/jm00072a012 Unchecked 1
19354255 10.1021/jm900052j Protein mono-ADP-ribosyltransferase PARP3 1
19354255 10.1021/jm900052j Poly [ADP-ribose] polymerase 1 1
26322531 10.1021/acs.jmedchem.5b00871 D-amino-acid oxidase 1
26322531 10.1021/acs.jmedchem.5b00871 D-aspartate oxidase 1

Data from ChEMBL 36 via Core Engine