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Compound Detail

CHEMBL4559479

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Nc1ccccc1-c1cc2ccccc2[nH]1

Basic Information

ChEMBL ID CHEMBL4559479
Phase Preclinical
Structure Type MOL
InChI Key IAKRGXQCKYFJCB-UHFFFAOYSA-N
0
Targets
4
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names

Molecular Properties

208.3
MW (Da)
3.42
ALogP
1
HBA
2
HBD
41.8
PSA (Ų)
0.59
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 C14H12N2
MW 208.26
Aromatic Rings 3
Heavy Atoms 16
NP-Likeness -0.44

Activity Summary

EC50 4 meas.

Literature References

PubMed DOI Target Context # Activities
36731248 10.1016/j.bmc.2023.117187 Staphylococcus aureus 6
30568753 10.1039/C8MD00436F Unchecked 3
30568753 10.1039/C8MD00436F U-87 MG 1
30568753 10.1039/C8MD00436F U-251 1
38669910 10.1016/j.ejmech.2024.116411 Staphylococcus aureus 1
38669910 10.1016/j.ejmech.2024.116411 Bacillus subtilis 1
38669910 10.1016/j.ejmech.2024.116411 Streptococcus pyogenes 1
38669910 10.1016/j.ejmech.2024.116411 Escherichia coli 1
38669910 10.1016/j.ejmech.2024.116411 Klebsiella pneumoniae 1
38669910 10.1016/j.ejmech.2024.116411 Aspergillus niger 1
38669910 10.1016/j.ejmech.2024.116411 Candida albicans 1
38669910 10.1016/j.ejmech.2024.116411 Trichoderma viride 1

Data from ChEMBL 36 via Core Engine