Compound Detail
CHEMBL2325156
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Basic Information
| ChEMBL ID | CHEMBL2325156 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AHNIJHITSFVTBN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
539.4
MW (Da)
3.52
ALogP
10
HBA
2
HBD
136.1
PSA (Ų)
0.34
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.8 | 7.8 | 16.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 16.0 | nM | 7.8 | Inhibition of Escherichia coli HldE-kinase preincubated for 30 mins prior to sub... | 23445125 |
| Unchecked | IC50 | = | 16.0 | nM | 7.8 | Inhibition of Escherichia coli O18:K1 C7 hldE-K expressed in Escherichia coli BL... | 23409840 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23409840 | 10.1021/jm301499r | Escherichia coli | 4 |
| 23445125 | 10.1021/jm400097h | Escherichia coli | 3 |
| 23445125 | 10.1021/jm400097h | Unchecked | 1 |
| 23409840 | 10.1021/jm301499r | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine