Compound Detail
CHEMBL38625
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Cn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL38625 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JCWLOOOEFZTTNG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
477.6
MW (Da)
6.30
ALogP
5
HBA
3
HBD
97.3
PSA (Ų)
0.40
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SW1353 CHEMBL614944 | IC50 | 7.24 | 7.24 | 57.0 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 7.06 | 7.06 | 87.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SW1353 | IC50 | = | 57.0 | nM | 7.24 | TNF-alpha-induced IL-6 production in SW1353 cells | 12039561 |
| Mitogen-activated protein kinase 14 | IC50 | = | 87.0 | nM | 7.06 | Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 | 12039561 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12039561 | 10.1016/s0960-894x(02)00238-x | Mitogen-activated protein kinase 14 | 1 |
| 12039561 | 10.1016/s0960-894x(02)00238-x | SW1353 | 1 |
Data from ChEMBL 36 via Core Engine