Compound Detail
CHEMBL2078800
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Basic Information
| ChEMBL ID | CHEMBL2078800 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KDDHBEBXEUYFNL-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
416.5
MW (Da)
4.02
ALogP
7
HBA
2
HBD
90.9
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calmodulin-domain protein kinase 1 CHEMBL1781862 | IC50 | 8.42 | 8.42 | 3.8 | 2 |
| Unchecked CHEMBL612545 | IC50 | 8.42 | 8.3225 | 3.8 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calmodulin-domain protein kinase 1 | IC50 | = | 3.8 | nM | 8.42 | Biological Assay: Most known kinase inhibitors bind in the ATP-binding pocket of... | - |
| Calmodulin-domain protein kinase 1 | IC50 | = | 3.8 | nM | 8.42 | luminescent kinase assay: Inhibition of TgCDPK1 and CpCDPK1 was determined using... | - |
| Unchecked | IC50 | = | 3.8 | nM | 8.42 | Luminescent Kinase Assay: Inhibition of TgCDPK1 and CpCDPK1 was determined using... | - |
| Unchecked | IC50 | = | 5.1 | nM | 8.29 | Biological Assay: Two types of enzyme assays were developed to follow TgCDPK1 ac... | - |
| Unchecked | IC50 | = | 5.1 | nM | 8.29 | luminescent kinase assay: Inhibition of TgCDPK1 and CpCDPK1 was determined using... | - |
| Unchecked | IC50 | = | 5.1 | nM | 8.29 | Luminescent Kinase Assay: Inhibition of TgCDPK1 and CpCDPK1 was determined using... | - |
Data from ChEMBL 36 via Core Engine