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Compound Detail

CHEMBL198666

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O=C(Nc1ccccc1C(=O)O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL198666
Phase Preclinical
Structure Type MOL
InChI Key WXVLIIDDWFGYCV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

241.2
MW (Da)
2.64
ALogP
2
HBA
2
HBD
66.4
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C14H11NO3
MW 241.25
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.95

Literature References

PubMed DOI Target Context # Activities
20585112 10.1128/aac.00203-10 Human adenovirus 5 2
16183274 10.1016/j.bmcl.2005.08.063 Aldo-keto reductase family 1 member C3 1
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