Compound Detail
CHEMBL1951829
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Basic Information
| ChEMBL ID | CHEMBL1951829 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SDZZBZZDPFZNDX-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
318.3
MW (Da)
4.33
ALogP
4
HBA
1
HBD
59.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.4
IC50 1 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Casein kinase II CHEMBL2095191 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
| HT-22 CHEMBL614316 | EC50 | 7.4 | 7.4 | 40.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Casein kinase II | IC50 | = | 28.0 | nM | 7.55 | Inhibition of recombinant human CK2 using RRRDDDSDDD as substrate after 20 mins ... | 24011954 |
| HT-22 | EC50 | = | 40.0 | nM | 7.4 | Neuroprotective activity in mouse HT22 cells assessed as reduction in IAA-induce... | 22192055 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22192055 | 10.1021/jm2012563 | HT-22 | 2 |
| 22192055 | 10.1021/jm2012563 | PC-12 | 1 |
| 22192055 | 10.1021/jm2012563 | N9 | 1 |
| 22192055 | 10.1021/jm2012563 | NON-PROTEIN TARGET | 1 |
| 24011954 | 10.1016/j.bmc.2013.08.013 | Casein kinase II | 1 |
Data from ChEMBL 36 via Core Engine