Compound Detail
CHEMBL234052
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Basic Information
| ChEMBL ID | CHEMBL234052 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HUBFHDCOBSCSRE-WQLSENKSSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
285.3
MW (Da)
2.36
ALogP
5
HBA
1
HBD
63.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.67 | 4.62 | 21600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 21600.0 | nM | 4.67 | Inhibition of ADP-BODIPY binding to Thermotoga maritima HK853 by fluorescence po... | 29706527 |
| Unchecked | IC50 | = | 27100.0 | nM | 4.57 | Inhibition of ADP-BODIPY binding to Thermotoga maritima HK853 in presence of Tri... | 29706527 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29706527 | 10.1016/j.bmc.2018.04.047 | Unchecked | 4 |
| 17303421 | 10.1016/j.bmcl.2007.01.081 | Unchecked | 1 |
| 29706527 | 10.1016/j.bmc.2018.04.047 | Sensor protein kinase WalK | 1 |
Data from ChEMBL 36 via Core Engine