Compound Detail
CHEMBL148333
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Basic Information
| ChEMBL ID | CHEMBL148333 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJWUXKNZVMEPPH-UHFFFAOYSA-N |
5
Targets
8
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
265.3
MW (Da)
0.73
ALogP
4
HBA
2
HBD
71.1
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 6.32
IC50 2 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.32 | 6.32 | 480.0 | 1 |
| cAMP-dependent protein kinase alpha-catalytic subunit CHEMBL4885 | Ki | 5.92 | 5.92 | 1200.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.28 | 5.28 | 5300.0 | 1 |
| Protein kinase C (PKC) CHEMBL2093867 | Ki | 4.82 | 4.82 | 15000.0 | 1 |
| Myosin light chain kinase, smooth muscle CHEMBL3062 | Ki | 4.17 | 4.17 | 68000.0 | 1 |
| Protein kinase Pfmrk CHEMBL4090 | IC50 | 4.16 | 4.16 | 70000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 480.0 | nM | 6.32 | Inhibitory constant against cGPK (PKG) | 8824261 |
| cAMP-dependent protein kinase alpha-catalytic subunit | Ki | = | 1200.0 | nM | 5.92 | Inhibitory constant against cAPK (PKA) | 8824261 |
| Unchecked | IC50 | = | 5300.0 | nM | 5.28 | Inhibition of PKA by radiometric filter binding assay | 20151677 |
| Protein kinase C (PKC) | Ki | = | 15000.0 | nM | 4.82 | Inhibitory constant against PKC | 8824261 |
| Myosin light chain kinase, smooth muscle | Ki | = | 68000.0 | nM | 4.17 | Inhibitory constant against MLCK | 8824261 |
| Protein kinase Pfmrk | IC50 | = | 70000.0 | nM | 4.16 | Inhibition of Plasmodium falciparum Pfmrk | 17588749 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17850214 | 10.1042/bj20070797 | Unchecked | 4 |
| 17850214 | 10.1042/bj20070797 | Serine/threonine-protein kinase PAK 6 | 2 |
| 17850214 | 10.1042/bj20070797 | Protein kinase C zeta type | 2 |
| 17850214 | 10.1042/bj20070797 | Protein kinase C alpha type | 2 |
| 17850214 | 10.1042/bj20070797 | RAC-beta serine/threonine-protein kinase | 2 |
| 17850214 | 10.1042/bj20070797 | RAC-alpha serine/threonine-protein kinase | 2 |
| 17850214 | 10.1042/bj20070797 | cAMP-dependent protein kinase catalytic subunit alpha | 2 |
| 17850214 | 10.1042/bj20070797 | Serine/threonine-protein kinase pim-3 | 2 |
| 17850214 | 10.1042/bj20070797 | Serine/threonine-protein kinase pim-2 | 2 |
| 17850214 | 10.1042/bj20070797 | Serine/threonine-protein kinase pim-1 | 2 |
| 17850214 | 10.1042/bj20070797 | 3-phosphoinositide-dependent protein kinase 1 | 2 |
| 2909743 | 10.1021/jm00121a010 | Canis familiaris | 2 |
| 17850214 | 10.1042/bj20070797 | Serine/threonine-protein kinase PAK 5 | 2 |
| 17850214 | 10.1042/bj20070797 | Serine/threonine-protein kinase PAK 4 | 2 |
| 17850214 | 10.1042/bj20070797 | Mitogen-activated protein kinase 12 | 2 |
| 17850214 | 10.1042/bj20070797 | Mitogen-activated protein kinase 13 | 2 |
| 17850214 | 10.1042/bj20070797 | Mitogen-activated protein kinase 11 | 2 |
| 17850214 | 10.1042/bj20070797 | Ribosomal protein S6 kinase alpha-1 | 2 |
| 17850214 | 10.1042/bj20070797 | Rho-associated protein kinase 2 | 2 |
| 17588749 | 10.1016/j.bmcl.2007.06.032 | Plasmodium falciparum | 2 |
Data from ChEMBL 36 via Core Engine