Compound Detail
CHEMBL345639
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Basic Information
| ChEMBL ID | CHEMBL345639 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XIXAQIBBURNBNH-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
456.6
MW (Da)
3.61
ALogP
6
HBA
2
HBD
71.7
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C (PKC) CHEMBL2094266 | IC50 | 7.07 | 7.07 | 86.0 | 1 |
| Myosin light chain kinase, smooth muscle CHEMBL2428 | IC50 | 5.04 | 5.04 | 9200.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
| cGMP-dependent protein kinase 1 CHEMBL3183 | IC50 | 4.64 | 4.64 | 23000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C (PKC) | IC50 | = | 86.0 | nM | 7.07 | Tested for inhibition of protein kinase C from rat brain | - |
| Myosin light chain kinase, smooth muscle | IC50 | = | 9200.0 | nM | 5.04 | Tested for inhibition of Myosin light chain kinase from chicken gizzard | - |
| Unchecked | IC50 | = | 15000.0 | nM | 4.82 | Tested for inhibition of catalytic subunit of cAMP-dependent protein kinase from... | - |
| cGMP-dependent protein kinase 1 | IC50 | = | 23000.0 | nM | 4.64 | Tested for inhibition of cGMP-dependent protein kinase from bovine lung | - |
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