Compound Detail
CHEMBL1784962
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Basic Information
| ChEMBL ID | CHEMBL1784962 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMBDYQBCOSPKIJ-UHFFFAOYSA-N |
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
365.4
MW (Da)
4.20
ALogP
5
HBA
1
HBD
69.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calmodulin-domain protein kinase 1 CHEMBL1781862 | IC50 | 5.75 | 5.74 | 1800.0 | 4 |
| Unchecked CHEMBL612545 | IC50 | 5.75 | 5.6667 | 1800.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calmodulin-domain protein kinase 1 | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK... | 21116453 |
| Calmodulin-domain protein kinase 1 | IC50 | = | 1800.0 | nM | 5.75 | luminescent kinase assay: Inhibition of TgCDPK1 and CpCDPK1 was determined using... | - |
| Unchecked | IC50 | = | 1800.0 | nM | 5.75 | KinaseGlo Assay: Kinase phosphorylation reactions were performed in a buffered m... | - |
| Calmodulin-domain protein kinase 1 | IC50 | = | 1848.0 | nM | 5.73 | Biological Assay: Most known kinase inhibitors bind in the ATP-binding pocket of... | - |
| Calmodulin-domain protein kinase 1 | IC50 | = | 1848.0 | nM | 5.73 | luminescent kinase assay: Inhibition of TgCDPK1 and CpCDPK1 was determined using... | - |
| Unchecked | IC50 | = | 1848.0 | nM | 5.73 | Luminescent Kinase Assay: Inhibition of TgCDPK1 and CpCDPK1 was determined using... | - |
| Unchecked | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of Cryptosporidium parvum recombinant N-terminal hexahistidine tagged... | 21116453 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21116453 | 10.1021/ml100096t | Unchecked | 1 |
| 21116453 | 10.1021/ml100096t | Calmodulin-domain protein kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine