Compound Detail
CHEMBL64040
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Basic Information
| ChEMBL ID | CHEMBL64040 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LDXAGTHPWDVZFU-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
418.3
MW (Da)
5.70
ALogP
4
HBA
3
HBD
85.0
PSA (Ų)
0.48
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
| SW1353 CHEMBL614944 | IC50 | 7.38 | 7.38 | 42.0 | 1 |
| Mitogen-activated protein kinase 11 CHEMBL3961 | IC50 | 7.28 | 7.28 | 52.0 | 1 |
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 6.07 | 6.07 | 850.0 | 1 |
| Tyrosine-protein kinase ABL CHEMBL2111414 | IC50 | 5.57 | 5.57 | 2700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 13.0 | nM | 7.89 | Inhibition of mitogen-activated protein kinase p38 alpha 2 | 10999468 |
| SW1353 | IC50 | = | 42.0 | nM | 7.38 | Inhibition of TNF and IL-1 induced IL-6 production in human chondro-sarcoma SW 1... | 10999468 |
| Mitogen-activated protein kinase 11 | IC50 | = | 52.0 | nM | 7.28 | Inhibition of Mitogen-activated protein kinase p38 beta | 10999468 |
| Mitogen-activated protein kinase 8 | IC50 | = | 850.0 | nM | 6.07 | Inhibition of c-Jun N-terminal kinase 1 | 10999468 |
| Tyrosine-protein kinase ABL | IC50 | = | 2700.0 | nM | 5.57 | Inhibition of Abl tyrosine kinase | 10999468 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10999468 | 10.1016/s0960-894x(00)00272-9 | No relevant target | 2 |
| 10999468 | 10.1016/s0960-894x(00)00272-9 | Mitogen-activated protein kinase 14 | 1 |
| 10999468 | 10.1016/s0960-894x(00)00272-9 | SW1353 | 1 |
| 10999468 | 10.1016/s0960-894x(00)00272-9 | Mitogen-activated protein kinase 11 | 1 |
| 10999468 | 10.1016/s0960-894x(00)00272-9 | Mitogen-activated protein kinase 8 | 1 |
| 10999468 | 10.1016/s0960-894x(00)00272-9 | Tyrosine-protein kinase ABL | 1 |
| 10999468 | 10.1016/s0960-894x(00)00272-9 | Mitogen-activated protein kinase 3 | 1 |
Data from ChEMBL 36 via Core Engine