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Compound Detail

CHEMBL36767

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Nc1ccc(Cl)cc1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL36767
Phase Preclinical
Structure Type MOL
InChI Key IFXKXCLVKQVVDI-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

171.6
MW (Da)
1.62
ALogP
2
HBA
2
HBD
63.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H6ClNO2
MW 171.58
Aromatic Rings 1
Heavy Atoms 11
NP-Likeness -0.77

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)00261-8 Rattus norvegicus 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