Compound Detail
CHEMBL2325158
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O=C(COc1ccc2sc(CNc3nncc(-c4c(Cl)cccc4Cl)n3)nc2c1)OCc1cc(=O)c(O)cn1O
Basic Information
| ChEMBL ID | CHEMBL2325158 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GMJCTQXIKRWGJL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
601.4
MW (Da)
4.29
ALogP
13
HBA
3
HBD
161.6
PSA (Ų)
0.16
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 30.0 | nM | 7.52 | Inhibition of Escherichia coli HldE-kinase preincubated for 30 mins prior to sub... | 23445125 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23445125 | 10.1021/jm400097h | Escherichia coli | 3 |
| 23445125 | 10.1021/jm400097h | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine