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Compound Detail

CHEMBL2440265

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COc1cccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2440265
Phase Preclinical
Structure Type MOL
InChI Key HDVRRDHXHGFQOQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

347.4
MW (Da)
4.31
ALogP
3
HBA
2
HBD
75.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17NO4
MW 347.37
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.68

Literature References

PubMed DOI Target Context # Activities
24112046 10.1021/jm400485e Escherichia coli 1
24112046 10.1021/jm400485e Unchecked 1
24589489 10.1016/j.ejmech.2014.02.014 Unchecked 1

Data from ChEMBL 36 via Core Engine