Compound Detail
CHEMBL2413673
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CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3ccc(C(N)=O)cc3)cc2C(=O)O)c1
Basic Information
| ChEMBL ID | CHEMBL2413673 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PXRZYSIZDOCBJT-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
495.6
MW (Da)
3.43
ALogP
5
HBA
3
HBD
146.9
PSA (Ų)
0.41
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.72 | 4.915 | 1900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1900.0 | nM | 5.72 | Inhibition of Pseudomonas aeruginosa PqsD using ACoA/beta-ketodecanoic acid as s... | 23834469 |
| Unchecked | IC50 | = | 78000.0 | nM | 4.11 | Inhibition of Escherichia coli RNAP assessed as incorporation of [5,6-3H]UTP pre... | 24589489 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23834469 | 10.1021/jm4006302 | Unchecked | 1 |
| 24589489 | 10.1016/j.ejmech.2014.02.014 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine