Compound Detail
CHEMBL59004
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Basic Information
| ChEMBL ID | CHEMBL59004 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YLDKSXXXIVZVJZ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
325.4
MW (Da)
4.21
ALogP
2
HBA
2
HBD
49.8
PSA (Ų)
0.44
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-dependent protein kinase 1 CHEMBL3183 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| Protein kinase C (PKC) CHEMBL2094266 | IC50 | 6.28 | 6.28 | 520.0 | 1 |
| Rho-associated protein kinase 2 CHEMBL2973 | IC50 | 6.26 | 6.26 | 550.0 | 1 |
| Myosin light chain kinase, smooth muscle CHEMBL3062 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-dependent protein kinase 1 | IC50 | = | 400.0 | nM | 6.4 | In vitro for inhibitory activity against cGMP-dependent protein kinase from bovi... | - |
| Protein kinase C (PKC) | IC50 | = | 520.0 | nM | 6.28 | In vitro for inhibitory activity against protein kinase C from rat brain | - |
| Rho-associated protein kinase 2 | IC50 | = | 550.0 | nM | 6.26 | Inhibition of N-terminal His10-StrepII tagged human ROCK2 catalytic domain (1 to... | 36764122 |
| Myosin light chain kinase, smooth muscle | IC50 | = | 1100.0 | nM | 5.96 | In vitro for inhibitory activity against myosin light-chain kinase from chicken ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80995-1 | Protein kinase C (PKC) | 1 |
| - | 10.1016/S0960-894X(01)80995-1 | cAMP-dependent protein kinase catalytic subunit alpha | 1 |
| - | 10.1016/S0960-894X(01)80995-1 | cGMP-dependent protein kinase 1 | 1 |
| - | 10.1016/S0960-894X(01)80995-1 | Myosin light chain kinase, smooth muscle | 1 |
| - | 10.1016/S0960-894X(01)80995-1 | Splenocyte | 1 |
| 36764122 | 10.1016/j.ejmech.2023.115181 | Rho-associated protein kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine