Compound Detail
CHEMBL2440272
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Basic Information
| ChEMBL ID | CHEMBL2440272 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JSOHPQXDAZWUDG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
351.8
MW (Da)
4.96
ALogP
2
HBA
2
HBD
66.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.21 | 5.21 | 6200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 6200.0 | nM | 5.21 | Inhibition of Pseudomonas aeruginosa His-6-tagged PqsD expressed in Escherichia ... | 24589489 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24112046 | 10.1021/jm400485e | Escherichia coli | 1 |
| 24112046 | 10.1021/jm400485e | Unchecked | 1 |
| 24589489 | 10.1016/j.ejmech.2014.02.014 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine