Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL2437347

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Cc1ccc(NC(=O)c2cc(Cl)ccc2O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2437347
Phase Preclinical
Structure Type MOL
InChI Key KLORATCDRSXVPO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
19
Publications
0
Known Names

Molecular Properties

261.7
MW (Da)
3.61
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.87
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H12ClNO2
MW 261.71
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.43

Activity Summary

IC50 1 meas. best 5.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 5.09 5.09 8200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 8200.0 nM 5.09 Inhibition of NS-1in Zika virus 33689873

Literature References

PubMed DOI Target Context # Activities
24045008 10.1016/j.bmc.2013.08.029 Staphylococcus aureus 4
33689873 10.1016/j.bmcl.2021.127906 ADMET 2
33689873 10.1016/j.bmcl.2021.127906 Unchecked 2
- 10.6019/CHEMBL4513161 Pseudomonas aeruginosa 2
- 10.6019/CHEMBL4513161 Escherichia coli 1
33689873 10.1016/j.bmcl.2021.127906 No relevant target 1
- 10.6019/CHEMBL4513161 HEK293 1
- 10.6019/CHEMBL4513161 Erythrocyte 1
- 10.6019/CHEMBL4513161 Staphylococcus aureus 1
- 10.6019/CHEMBL4513161 Acinetobacter baumannii 1
- 10.6019/CHEMBL4513161 Klebsiella pneumoniae 1
24045008 10.1016/j.bmc.2013.08.029 Mycobacterium kansasii 1
- 10.6019/CHEMBL4513161 Cryptococcus neoformans 1
- 10.6019/CHEMBL4513161 Candida albicans 1
24045008 10.1016/j.bmc.2013.08.029 Bacillus cereus 1
24045008 10.1016/j.bmc.2013.08.029 Clostridium perfringens 1
24045008 10.1016/j.bmc.2013.08.029 Pasteurella multocida 1
24045008 10.1016/j.bmc.2013.08.029 Mycolicibacterium smegmatis 1
24045008 10.1016/j.bmc.2013.08.029 Mycobacterium marinum 1

Data from ChEMBL 36 via Core Engine