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Compound Detail

CHEMBL4859086

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CNC(=O)c1cc(C(=O)O)cc(Cc2ccccc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4859086
Phase Preclinical
Structure Type MOL
InChI Key NSCDAAODLJMRCW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

270.3
MW (Da)
1.73
ALogP
3
HBA
2
HBD
79.3
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H14N2O3
MW 270.29
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.41

Literature References

PubMed DOI Target Context # Activities
34232650 10.1021/acs.jmedchem.0c02155 Bromodomain-containing protein 4 2
34232650 10.1021/acs.jmedchem.0c02155 No relevant target 1

Data from ChEMBL 36 via Core Engine