Compound Detail
CHEMBL2325142
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Basic Information
| ChEMBL ID | CHEMBL2325142 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RJTYENYLOGJRJE-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
505.4
MW (Da)
3.55
ALogP
9
HBA
3
HBD
122.2
PSA (Ų)
0.32
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.31 | 6.8525 | 49.0 | 4 |
| Klebsiella pneumoniae CHEMBL350 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 49.0 | nM | 7.31 | Inhibition of Escherichia coli O18:K1 C7 hldE-K expressed in Escherichia coli BL... | 23409840 |
| Unchecked | IC50 | = | 55.0 | nM | 7.26 | Inhibition of Escherichia coli HldE-kinase preincubated for 30 mins prior to sub... | 23445125 |
| Unchecked | IC50 | = | 76.0 | nM | 7.12 | Inhibition of Serratia marcescens NEM017811 hldE-K expressed in Escherichia coli... | 23409840 |
| Klebsiella pneumoniae | IC50 | = | 150.0 | nM | 6.82 | Inhibition of Klebsiella pneumoniae ATCC 700603 hldE-K expressed in Escherichia ... | 23409840 |
| Unchecked | IC50 | = | 1900.0 | nM | 5.72 | Inhibition of Neisseria meningitidis 2C43 hldE-K expressed in Escherichia coli B... | 23409840 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23409840 | 10.1021/jm301499r | Escherichia coli | 9 |
| 23445125 | 10.1021/jm400097h | Escherichia coli | 4 |
| 23409840 | 10.1021/jm301499r | Unchecked | 4 |
| 23445125 | 10.1021/jm400097h | Unchecked | 1 |
| 23409840 | 10.1021/jm301499r | Klebsiella pneumoniae | 1 |
| 23409840 | 10.1021/jm301499r | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine