Compound Detail
CHEMBL2376915
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Basic Information
| ChEMBL ID | CHEMBL2376915 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CUFBUESSXCZHQS-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
4
PK Parameters
7
Publications
0
Known Names
Molecular Properties
476.0
MW (Da)
4.48
ALogP
6
HBA
2
HBD
71.4
PSA (Ų)
0.41
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase p38 CHEMBL2094115 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 7.27 | 7.27 | 54.0 | 1 |
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 6.12 | 6.12 | 750.0 | 1 |
| Mitogen-activated protein kinase 10 CHEMBL4092 | IC50 | 5.39 | 5.39 | 4100.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | - | - | Rattus norvegicus |
| CL | - | - | Rattus norvegicus |
| F | - | % | Rattus norvegicus |
| t1/2 | - | - | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MAP kinase p38 | IC50 | = | 40.0 | nM | 7.4 | Inhibition of MAPK p38 (unknown origin)-mediated ATF2 Thr71 phosphorylation by H... | 23518277 |
| Mitogen-activated protein kinase 10 | IC50 | = | 54.0 | nM | 7.27 | Inhibition of JNK3 (unknown origin)-mediated ATF2 Thr71 phosphorylation by HTRF ... | 23518277 |
| Mitogen-activated protein kinase 8 | IC50 | = | 750.0 | nM | 6.12 | Inhibition of JNK1 (unknown origin)-mediated ATF2 Thr71 phosphorylation by HTRF ... | 23518277 |
| Mitogen-activated protein kinase 10 | IC50 | = | 4100.0 | nM | 5.39 | Inhibition of JNK3-mediated c-Jun phosphorylation in rat INS-1 cells after 3 hrs... | 23518277 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23518277 | 10.1016/j.bmcl.2013.02.082 | Rattus norvegicus | 4 |
| 23518277 | 10.1016/j.bmcl.2013.02.082 | Mitogen-activated protein kinase 10 | 2 |
| 23518277 | 10.1016/j.bmcl.2013.02.082 | Unchecked | 1 |
| 23518277 | 10.1016/j.bmcl.2013.02.082 | Mitogen-activated protein kinase 8 | 1 |
| 23518277 | 10.1016/j.bmcl.2013.02.082 | Plasma | 1 |
| 23518277 | 10.1016/j.bmcl.2013.02.082 | Brain | 1 |
| 23518277 | 10.1016/j.bmcl.2013.02.082 | MAP kinase p38 | 1 |
Data from ChEMBL 36 via Core Engine