Compound Detail
CHEMBL1761562
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Basic Information
| ChEMBL ID | CHEMBL1761562 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQHYPIHJXWTXPZ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
445.5
MW (Da)
4.42
ALogP
9
HBA
1
HBD
99.2
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Transcription factor Jun CHEMBL4977 | IC50 | 6.54 | 6.54 | 290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 | IC50 | = | 60.0 | nM | 7.22 | Inhibition of JNK3 by HRTF | 21316221 |
| Mitogen-activated protein kinase 8 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of JNK1 by HRTF | 21316221 |
| Transcription factor Jun | IC50 | = | 290.0 | nM | 6.54 | Inhibition of c-Jun | 21316221 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21316221 | 10.1016/j.bmcl.2011.01.079 | Mitogen-activated protein kinase 10 | 1 |
| 21316221 | 10.1016/j.bmcl.2011.01.079 | Mitogen-activated protein kinase 8 | 1 |
| 21316221 | 10.1016/j.bmcl.2011.01.079 | Transcription factor Jun | 1 |
| 21316221 | 10.1016/j.bmcl.2011.01.079 | Plasma | 1 |
| 21316221 | 10.1016/j.bmcl.2011.01.079 | Brain | 1 |
Data from ChEMBL 36 via Core Engine