Compound Detail
CHEMBL63135
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Basic Information
| ChEMBL ID | CHEMBL63135 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MAOSUPNJVJGJEU-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
239.2
MW (Da)
3.28
ALogP
2
HBA
1
HBD
41.6
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 7.1 | 7.1 | 79.0 | 1 |
| MAP kinase p38 CHEMBL2094115 | IC50 | 6.77 | 6.725 | 170.0 | 2 |
| Mitogen-activated protein kinase 9 CHEMBL4179 | IC50 | 6.71 | 6.71 | 195.0 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL2336 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| RAF proto-oncogene serine/threonine-protein kinase CHEMBL1906 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 79.0 | nM | 7.1 | Inhibition of p38alpha MAP kinase | 19301816 |
| MAP kinase p38 | IC50 | = | 170.0 | nM | 6.77 | Inhibitory activity against Mitogen-activated protein kinase p38 (MAP kinase) | 10377223 |
| Mitogen-activated protein kinase 9 | IC50 | = | 195.0 | nM | 6.71 | Inhibition of c-Jun N-terminal kinase 2-alpha 1 | 10377223 |
| MAP kinase p38 | IC50 | = | 210.0 | nM | 6.68 | In vitro inhibitory concentration against radioligand [3H]SB-202190 binding to C... | 8831759 |
| Mitogen-activated protein kinase 14 | IC50 | = | 1000.0 | nM | 6.0 | In vivo inhibition of murine Mitogen-activated protein kinase p38 alpha activity... | 12127515 |
| RAF proto-oncogene serine/threonine-protein kinase | IC50 | = | 1300.0 | nM | 5.89 | Inhibitory activity against recombinant human RAF proto-oncogene serine/threonin... | 10377223 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10377223 | 10.1021/jm9805236 | MAP kinase p38 | 2 |
| 10377223 | 10.1021/jm9805236 | RAF proto-oncogene serine/threonine-protein kinase | 1 |
| 10377223 | 10.1021/jm9805236 | Mitogen-activated protein kinase 9 | 1 |
| 8831759 | 10.1021/jm960415o | MAP kinase p38 | 1 |
| 8831759 | 10.1021/jm960415o | Mus musculus | 1 |
| 8831759 | 10.1021/jm960415o | Prostaglandin G/H synthase 1 | 1 |
| 8831759 | 10.1021/jm960415o | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 12127515 | 10.1016/s0960-894x(02)00336-0 | Mitogen-activated protein kinase 14 | 1 |
| 12127515 | 10.1016/s0960-894x(02)00336-0 | PBMC | 1 |
| 12127515 | 10.1016/s0960-894x(02)00336-0 | Prostaglandin G/H synthase 1 | 1 |
| 19301816 | 10.1021/jm801467h | Mitogen-activated protein kinase 14 | 1 |
| - | 10.6019/CHEMBL3988181 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine