Compound Detail
CHEMBL194806
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Basic Information
| ChEMBL ID | CHEMBL194806 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VKTAENBLRPMXKK-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
445.9
MW (Da)
5.11
ALogP
4
HBA
4
HBD
81.8
PSA (Ų)
0.34
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 8.9 | 8.875 | 1.3 | 2 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 8.4 | 8.38 | 4.0 | 2 |
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 7.15 | 7.125 | 71.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 | IC50 | = | 1.259 | nM | 8.9 | Inhibition of JNK3 by high throughput screening | 19303774 |
| Mitogen-activated protein kinase 10 | IC50 | = | 1.4 | nM | 8.85 | Inhibitory concentration against c-Jun N-terminal kinase 3 | 16140012 |
| Mitogen-activated protein kinase 14 | IC50 | = | 3.981 | nM | 8.4 | Inhibition of p38alpha by high throughput screening | 19303774 |
| Mitogen-activated protein kinase 14 | IC50 | = | 4.4 | nM | 8.36 | Inhibitory concentration against Mitogen-activated protein kinase p38 alpha | 16140012 |
| Mitogen-activated protein kinase 8 | IC50 | = | 71.0 | nM | 7.15 | Inhibitory concentration against c-Jun N-terminal kinase 1 | 16140012 |
| Mitogen-activated protein kinase 8 | IC50 | = | 79.43 | nM | 7.1 | Inhibition of JNK1 by high throughput screening | 19303774 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16140012 | 10.1016/j.bmcl.2005.06.083 | Mitogen-activated protein kinase 10 | 1 |
| 16140012 | 10.1016/j.bmcl.2005.06.083 | Mitogen-activated protein kinase 8 | 1 |
| 16140012 | 10.1016/j.bmcl.2005.06.083 | Mitogen-activated protein kinase 14 | 1 |
| 19303774 | 10.1016/j.bmcl.2009.02.098 | Mitogen-activated protein kinase 8 | 1 |
| 19303774 | 10.1016/j.bmcl.2009.02.098 | Mitogen-activated protein kinase 10 | 1 |
| 19303774 | 10.1016/j.bmcl.2009.02.098 | Mitogen-activated protein kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine