Compound Detail
CHEMBL2312559
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Basic Information
| ChEMBL ID | CHEMBL2312559 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CNAYNNSUTSXUJE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
453.5
MW (Da)
3.24
ALogP
10
HBA
2
HBD
128.6
PSA (Ų)
0.39
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
| D-beta-D-heptose 7-phosphate kinase CHEMBL2311239 | IC50 | 6.09 | 6.09 | 810.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 250.0 | nM | 6.6 | Inhibition of Escherichia coli O18:K1 C7 hldE-K expressed in Escherichia coli BL... | 23409840 |
| D-beta-D-heptose 7-phosphate kinase | IC50 | = | 810.0 | nM | 6.09 | Inhibition of Burkholderia cenocepacia HldA assessed as ATP depletion after 30 m... | 23256532 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23256532 | 10.1021/jm301483h | D-beta-D-heptose 7-phosphate kinase | 1 |
| 23409840 | 10.1021/jm301499r | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine