Compound Detail
CHEMBL1162107
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Basic Information
| ChEMBL ID | CHEMBL1162107 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YBGOLOJQJWLUQP-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
300.3
MW (Da)
1.76
ALogP
6
HBA
2
HBD
103.9
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 6.33
IC50 1 meas. best 4.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dickkopf-related protein 1/Low-density lipoprotein receptor-related protein 6 CHEMBL3885562 | Kd | 6.33 | 6.33 | 470.0 | 1 |
| Unchecked CHEMBL612545 | Kd | 5.89 | 5.89 | 1300.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.9 | 4.9 | 12600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dickkopf-related protein 1/Low-density lipoprotein receptor-related protein 6 | Kd | = | 470.0 | nM | 6.33 | Inhibition of human LRP6-DKK1 interaction by binding to LRP6 incubated for 1 hr ... | 33783220 |
| Unchecked | Kd | = | 1300.0 | nM | 5.89 | Binding affinity to HIV1 Nef by isothermal titration calorimetry method | 18042718 |
| Unchecked | IC50 | = | 12600.0 | nM | 4.9 | Inhibition of Wnt/beta-catenin signaling in mouse L Wnt-3A cells assessed as red... | 33783220 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18042718 | 10.1073/pnas.0707130104 | Unchecked | 2 |
| 26629858 | 10.1016/j.ejmech.2015.11.024 | ADMET | 2 |
| 26629858 | 10.1016/j.ejmech.2015.11.024 | Dickkopf-related protein 1/Low-density lipoprotein receptor-related protein 6 | 1 |
| 33783220 | 10.1021/acs.jmedchem.0c01974 | Dickkopf-related protein 1/Low-density lipoprotein receptor-related protein 6 | 1 |
| 33783220 | 10.1021/acs.jmedchem.0c01974 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine