Compound Detail
CHEMBL388566
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Basic Information
| ChEMBL ID | CHEMBL388566 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NNQMSHWOTYMSDC-UHFFFAOYSA-N |
6
Targets
8
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
289.3
MW (Da)
3.03
ALogP
2
HBA
2
HBD
57.8
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 7.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase-activated protein kinase 2 CHEMBL2208 | IC50 | 7.18 | 7.18 | 66.0 | 1 |
| MAP kinase-activated protein kinase 5 CHEMBL3094 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
| MAP kinase-activated protein kinase 3 CHEMBL4670 | IC50 | 6.18 | 6.18 | 660.0 | 1 |
| U-937 CHEMBL612794 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| MAP kinase-interacting serine/threonine-protein kinase 1 CHEMBL4718 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 4.75 | 4.75 | 18000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MAP kinase-activated protein kinase 2 | IC50 | = | 66.0 | nM | 7.18 | Inhibition of MK2 | 17480064 |
| MAP kinase-activated protein kinase 5 | IC50 | = | 140.0 | nM | 6.85 | Inhibition of MK5 | 17480064 |
| MAP kinase-activated protein kinase 3 | IC50 | = | 660.0 | nM | 6.18 | Inhibition of MK3 | 17480064 |
| U-937 | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of TNFalpha production in U937 cells | 17480064 |
| MAP kinase-interacting serine/threonine-protein kinase 1 | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of MNK1 | 17480064 |
| Cyclin-dependent kinase 1 | IC50 | = | 18000.0 | nM | 4.75 | Inhibition of CDK2 | 17480064 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17480064 | 10.1021/jm0611004 | Rattus norvegicus | 3 |
| 17480064 | 10.1021/jm0611004 | MAP kinase-activated protein kinase 2 | 1 |
| 17480064 | 10.1021/jm0611004 | U-937 | 1 |
| 17480064 | 10.1021/jm0611004 | MAP kinase-activated protein kinase 3 | 1 |
| 17480064 | 10.1021/jm0611004 | MAP kinase-activated protein kinase 5 | 1 |
| 17480064 | 10.1021/jm0611004 | MAP kinase-interacting serine/threonine-protein kinase 1 | 1 |
| 17480064 | 10.1021/jm0611004 | Ribosomal protein S6 kinase alpha-5 | 1 |
| 17480064 | 10.1021/jm0611004 | Ribosomal protein S6 kinase alpha-4 | 1 |
| 17480064 | 10.1021/jm0611004 | Cyclin-dependent kinase 1 | 1 |
| 17480064 | 10.1021/jm0611004 | Inhibitor of nuclear factor kappa-B kinase subunit beta | 1 |
Data from ChEMBL 36 via Core Engine