Compound Detail
CHEMBL303990
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Basic Information
| ChEMBL ID | CHEMBL303990 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SEAHSSUYMJWMKY-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
389.4
MW (Da)
4.95
ALogP
3
HBA
1
HBD
39.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C (PKC) CHEMBL2094266 | IC50 | 7.5 | 7.5 | 32.0 | 1 |
| Myosin light chain kinase, smooth muscle CHEMBL3062 | IC50 | 6.36 | 6.36 | 440.0 | 1 |
| cGMP-dependent protein kinase 1 CHEMBL3183 | IC50 | 6.15 | 6.15 | 710.0 | 1 |
| cAMP-dependent protein kinase catalytic subunit alpha CHEMBL2654 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C (PKC) | IC50 | = | 32.0 | nM | 7.5 | In vitro for inhibitory activity against protein kinase C from rat brain | - |
| Myosin light chain kinase, smooth muscle | IC50 | = | 440.0 | nM | 6.36 | In vitro for inhibitory activity against myosin light-chain kinase from chicken ... | - |
| cGMP-dependent protein kinase 1 | IC50 | = | 710.0 | nM | 6.15 | In vitro for inhibitory activity against cGMP-dependent protein kinase from bovi... | - |
| cAMP-dependent protein kinase catalytic subunit alpha | IC50 | = | 2400.0 | nM | 5.62 | In vitro for inhibitory activity against cAMP-dependent protein kinase from bovi... | - |
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 |
Data from ChEMBL 36 via Core Engine