Compound Detail
CHEMBL11470
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Basic Information
| ChEMBL ID | CHEMBL11470 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JSDBKAHWADVXFU-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
140.1
MW (Da)
-0.92
ALogP
4
HBA
0
HBD
44.0
PSA (Ų)
0.47
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas.
IC50 1 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Escherichia coli CHEMBL354 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Escherichia coli | IC50 | = | 15000.0 | nM | 4.82 | In vitro inhibition of Escherichia coli K-12 growth. | 7026787 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26073005 | 10.1016/j.bmcl.2015.05.073 | Carbonic anhydrase 1 | 2 |
| 7026787 | 10.1021/jm00141a012 | Escherichia coli | 1 |
| 26073005 | 10.1016/j.bmcl.2015.05.073 | Carbonic anhydrase 2 | 1 |
Data from ChEMBL 36 via Core Engine