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Compound Detail

CHEMBL473163

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Clc1ccc(-c2nc3ccccc3[nH]2)cc1

Basic Information

ChEMBL ID CHEMBL473163
Phase Preclinical
Structure Type MOL
InChI Key PTXUJRTVWRYYTE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
14
Publications
0
Known Names

Molecular Properties

228.7
MW (Da)
3.88
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H9ClN2
MW 228.68
Aromatic Rings 3
Heavy Atoms 16
NP-Likeness -1.37

Literature References

PubMed DOI Target Context # Activities
26976506 10.1016/j.bmc.2016.03.012 Unchecked 2
18657885 10.1016/j.ejmech.2008.06.009 Staphylococcus aureus 1
18657885 10.1016/j.ejmech.2008.06.009 Bacillus subtilis 1
18657885 10.1016/j.ejmech.2008.06.009 Escherichia coli 1
18657885 10.1016/j.ejmech.2008.06.009 Candida albicans 1
18657885 10.1016/j.ejmech.2008.06.009 Aspergillus niger 1
18657885 10.1016/j.ejmech.2008.06.009 No relevant target 1
- 10.1007/s00044-012-0178-8 Pseudomonas aeruginosa 1
- 10.1007/s00044-012-0178-8 Salmonella typhi 1
- 10.1007/s00044-012-0178-8 Escherichia coli 1
- 10.1007/s00044-012-0178-8 Bacillus cereus 1
- 10.1007/s00044-012-0178-8 Enterococcus faecalis 1
- 10.1007/s00044-012-0178-8 Staphylococcus aureus 1
- 10.1007/s00044-012-0375-5 Leishmania major 1

Data from ChEMBL 36 via Core Engine