Compound Detail
CHEMBL1161012
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Basic Information
| ChEMBL ID | CHEMBL1161012 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DLGBEGBHXSAQOC-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
152.2
MW (Da)
1.40
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas.
Kd 1 meas. best 4.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Casein kinase II subunit alpha CHEMBL3629 | Kd | 4.24 | 4.24 | 58000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Casein kinase II subunit alpha | Kd | = | 58000.0 | nM | 4.24 | Binding affinity to CK2alpha (unknown origin) by ITC | 28495381 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28341401 | 10.1016/j.bmc.2017.03.024 | Pendrin | 4 |
| 28495381 | 10.1016/j.bmc.2017.04.037 | Casein kinase II subunit alpha | 3 |
| 8831754 | 10.1021/jm960229i | Monoclonal antibody (mAb) | 1 |
| 21189019 | 10.1021/jm101266s | Neutrophil collagenase | 1 |
| 21189019 | 10.1021/jm101266s | 72 kDa type IV collagenase | 1 |
| 21189019 | 10.1021/jm101266s | Matrix metalloproteinase-9 | 1 |
| 21189019 | 10.1021/jm101266s | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 21189019 | 10.1021/jm101266s | Nitric oxide synthase, inducible | 1 |
| 21189019 | 10.1021/jm101266s | Lethal factor | 1 |
| 21189019 | 10.1021/jm101266s | Interstitial collagenase | 1 |
| 21189019 | 10.1021/jm101266s | Stromelysin-1 | 1 |
| 21189019 | 10.1021/jm101266s | Tyrosinase | 1 |
| 24262887 | 10.1016/j.bmc.2013.10.037 | Indoleamine 2,3-dioxygenase 1 | 1 |
| 26183083 | 10.1016/j.bmcl.2015.07.001 | No relevant target | 1 |
| 28341401 | 10.1016/j.bmc.2017.03.024 | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine