Compound Detail
CHEMBL63983
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Basic Information
| ChEMBL ID | CHEMBL63983 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | STRAIBOPIVXLQO-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
3
PK Parameters
6
Publications
0
Known Names
Molecular Properties
382.4
MW (Da)
3.78
ALogP
5
HBA
3
HBD
106.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL2336 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| PBMC CHEMBL613107 | IC50 | 7.36 | 7.36 | 44.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Cmax | 3120.0 | nM | Rattus norvegicus |
| F | 49.0 | % | Rattus norvegicus |
| T1/2 | 1.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 16.0 | nM | 7.8 | In vivo inhibition of murine Mitogen-activated protein kinase p38 alpha activity... | 12127515 |
| PBMC | IC50 | = | 44.0 | nM | 7.36 | Inhibition of LPS-stimulated TNF-alpha release from human peripheral blood monon... | 12127515 |
| Homo sapiens | IC50 | = | 250.0 | nM | 6.6 | Inhibition of LPS-stimulated TNF-alpha release from human whole blood | 12127515 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12127515 | 10.1016/s0960-894x(02)00336-0 | Rattus norvegicus | 19 |
| 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 |
| 12127515 | 10.1016/s0960-894x(02)00336-0 | Mus musculus | 1 |
| 12127515 | 10.1016/s0960-894x(02)00336-0 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine