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Compound Detail

CHEMBL101772

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N#Cc1ccc(C(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL101772
Phase Preclinical
Structure Type MOL
InChI Key ADCUEPOHPCPMCE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

147.1
MW (Da)
1.26
ALogP
2
HBA
1
HBD
61.1
PSA (Ų)
0.65
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 C8H5NO2
MW 147.13
Aromatic Rings 1
Heavy Atoms 11
NP-Likeness -1.03

Literature References

PubMed DOI Target Context # Activities
1527790 10.1021/jm00096a014 Rattus norvegicus 2
8667357 10.1021/jm950589q ADMET 1
1527790 10.1021/jm00096a014 No relevant target 1
8411009 10.1021/jm00072a012 Unchecked 1

Data from ChEMBL 36 via Core Engine