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Compound Detail

CHEMBL4287589

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O=C(O)c1ccnc(Cc2ccccc2)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4287589
Phase Preclinical
Structure Type MOL
InChI Key SDTKIIXWCJTZHN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

229.2
MW (Da)
2.08
ALogP
3
HBA
2
HBD
70.4
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H11NO3
MW 229.24
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness 0.04

Literature References

PubMed DOI Target Context # Activities
30108991 10.1039/C8MD00139A Macrophage cell line 9
30108991 10.1039/C8MD00139A Staphylococcus aureus 6
30108991 10.1039/C8MD00139A Streptococcus pyogenes 6
30108991 10.1039/C8MD00139A Klebsiella pneumoniae 6
30108991 10.1039/C8MD00139A Enterococcus faecium 6
30108991 10.1039/C8MD00139A Pseudomonas aeruginosa 6
30108991 10.1039/C8MD00139A Escherichia coli 6

Data from ChEMBL 36 via Core Engine