Compound Detail
CHEMBL345593
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Basic Information
| ChEMBL ID | CHEMBL345593 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZVNYZPSVRMHUSE-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
422.4
MW (Da)
4.25
ALogP
6
HBA
1
HBD
89.0
PSA (Ų)
0.44
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C (PKC) CHEMBL2094266 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Myosin light chain kinase, smooth muscle CHEMBL2428 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C (PKC) | IC50 | = | 2.0 | nM | 8.7 | Tested for inhibition of protein kinase C from rat brain | - |
| Myosin light chain kinase, smooth muscle | IC50 | = | 200.0 | nM | 6.7 | Tested for inhibition of Myosin light chain kinase from chicken gizzard | - |
| Unchecked | IC50 | = | 400.0 | nM | 6.4 | Tested for inhibition of catalytic subunit of cAMP-dependent protein kinase from... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(94)00458-R | Protein kinase C (PKC) | 1 |
| - | 10.1016/0960-894X(94)00458-R | Unchecked | 1 |
| - | 10.1016/0960-894X(94)00458-R | cGMP-dependent protein kinase 1 | 1 |
| - | 10.1016/0960-894X(94)00458-R | Myosin light chain kinase, smooth muscle | 1 |
| - | 10.1016/0960-894X(94)00458-R | Tyrosine-protein kinase Blk | 1 |
Data from ChEMBL 36 via Core Engine