Compound Detail
CHEMBL3127229
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Basic Information
| ChEMBL ID | CHEMBL3127229 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FJGAFQLZSDCMSS-ZZXKWVIFSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
304.3
MW (Da)
1.86
ALogP
7
HBA
1
HBD
124.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.68 | 5.295 | 2100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of Escherichia coli FabH expressed in Escherichia coli BL21 (DE3) aft... | 24594526 |
| Unchecked | IC50 | = | 12400.0 | nM | 4.91 | Inhibition of Pseudomonas aeruginosa FabH after 25 mins | 24594526 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24594526 | 10.1016/j.ejmech.2014.02.004 | ADMET | 2 |
| 24594526 | 10.1016/j.ejmech.2014.02.004 | Unchecked | 2 |
| 24594526 | 10.1016/j.ejmech.2014.02.004 | Bacillus subtilis | 1 |
| 24594526 | 10.1016/j.ejmech.2014.02.004 | Bacillus thuringiensis | 1 |
| 24594526 | 10.1016/j.ejmech.2014.02.004 | Pseudomonas aeruginosa | 1 |
| 24594526 | 10.1016/j.ejmech.2014.02.004 | Escherichia coli | 1 |
Data from ChEMBL 36 via Core Engine