Compound Detail
CHEMBL3127038
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Basic Information
| ChEMBL ID | CHEMBL3127038 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XRAHXESSIMTFKW-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
333.3
MW (Da)
4.01
ALogP
3
HBA
3
HBD
86.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.89 | 5.01 | 1300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of Pseudomonas aeruginosa His-6-tagged PqsD expressed in Escherichia ... | 24589489 |
| Unchecked | IC50 | = | 74000.0 | nM | 4.13 | Inhibition of Escherichia coli RNAP assessed as incorporation of [5,6-3H]UTP pre... | 24589489 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24589489 | 10.1016/j.ejmech.2014.02.014 | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine