Compound Detail
CHEMBL442906
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Basic Information
| ChEMBL ID | CHEMBL442906 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QBQQLAKCTHTRAQ-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
253.3
MW (Da)
1.75
ALogP
4
HBA
1
HBD
57.6
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.21
EC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.21 | 4.19 | 62058.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 62058.0 | nM | 4.21 | PUBCHEM_BIOASSAY: A screen for inhibitors of the PhoP region in Salmonella Typhi... | - |
| Unchecked | IC50 | = | 67960.0 | nM | 4.17 | PUBCHEM_BIOASSAY: A counter screen for small molecule screen for inhibitors of t... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19053778 | 10.1021/jm800869t | Unchecked | 2 |
| 19053778 | 10.1021/jm800869t | Human immunodeficiency virus 1 | 1 |
| 19053778 | 10.1021/jm800869t | MT2 | 1 |
Data from ChEMBL 36 via Core Engine