Compound Detail
CHEMBL1233748
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Basic Information
| ChEMBL ID | CHEMBL1233748 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GYQLVKWGHKBDMP-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
4
PK Parameters
10
Publications
0
Known Names
Molecular Properties
512.5
MW (Da)
6.19
ALogP
7
HBA
2
HBD
86.6
PSA (Ų)
0.26
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 8.05 | 8.05 | 9.0 | 2 |
| MAP kinase p38 CHEMBL2094115 | IC50 | 7.52 | 7.52 | 30.0 | 2 |
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 7.14 | 7.14 | 73.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 25.63 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 57.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 5.0 | % | Rattus norvegicus |
| T1/2 | 0.025 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 | IC50 | = | 9.0 | nM | 8.05 | Inhibition of JNK3 (unknown origin)-mediated ATF2 Thr71 phosphorylation by HTRF ... | 23518277 |
| Mitogen-activated protein kinase 10 | IC50 | = | 9.0 | nM | 8.05 | Inhibition of JNK3 (unknown origin) by time-resolved fluorescence assay | 25415535 |
| MAP kinase p38 | IC50 | = | 30.0 | nM | 7.52 | Inhibition of MAPK p38 (unknown origin)-mediated ATF2 Thr71 phosphorylation by H... | 23518277 |
| MAP kinase p38 | IC50 | = | 30.0 | nM | 7.52 | Inhibition of p38 (unknown origin) | 25415535 |
| Mitogen-activated protein kinase 8 | IC50 | = | 73.0 | nM | 7.14 | Inhibition of JNK1 (unknown origin)-mediated ATF2 Thr71 phosphorylation by HTRF ... | 23518277 |
| Mitogen-activated protein kinase 8 | IC50 | = | 73.0 | nM | 7.14 | Inhibition of JNK1 (unknown origin) by time-resolved fluorescence assay | 25415535 |
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 | Unchecked | 1 |
| 23518277 | 10.1016/j.bmcl.2013.02.082 | Plasma | 1 |
| 23518277 | 10.1016/j.bmcl.2013.02.082 | Mitogen-activated protein kinase 8 | 1 |
| 23518277 | 10.1016/j.bmcl.2013.02.082 | Brain | 1 |
| 23518277 | 10.1016/j.bmcl.2013.02.082 | MAP kinase p38 | 1 |
| 23518277 | 10.1016/j.bmcl.2013.02.082 | Mitogen-activated protein kinase 10 | 1 |
| 25415535 | 10.1021/jm501212r | MAP kinase p38 | 1 |
| 25415535 | 10.1021/jm501212r | Mitogen-activated protein kinase 8 | 1 |
| 25415535 | 10.1021/jm501212r | Mitogen-activated protein kinase 10 | 1 |
Data from ChEMBL 36 via Core Engine