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Compound Detail

CHEMBL4636634

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O=C(O)C(=O)Nc1cnc2ccccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4636634
Phase Preclinical
Structure Type MOL
InChI Key BMNNICGLMNPALJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

216.2
MW (Da)
1.26
ALogP
3
HBA
2
HBD
79.3
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H8N2O3
MW 216.20
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -1.34

Literature References

PubMed DOI Target Context # Activities
32787087 10.1021/acs.jmedchem.0c00302 Phosphotyrosine protein phosphatase 1
32787087 10.1021/acs.jmedchem.0c00302 Tyrosine-protein phosphatase non-receptor type 1 1
32787087 10.1021/acs.jmedchem.0c00302 Tyrosine-protein phosphatase non-receptor type 11 1

Data from ChEMBL 36 via Core Engine