Compound Detail
CHEMBL471375
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Basic Information
| ChEMBL ID | CHEMBL471375 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TUEUOKHPXFAOIV-GDNBJRDFSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
274.3
MW (Da)
3.67
ALogP
2
HBA
1
HBD
34.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 7.59 | 6.53 | 25.7 | 3 |
| Mitogen-activated protein kinase kinase kinase 5 CHEMBL5285 | IC50 | 4.08 | 4.08 | 82700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| High affinity nerve growth factor receptor | IC50 | = | 25.7 | nM | 7.59 | Inhibition of TrkA (unknown origin) | 27318978 |
| High affinity nerve growth factor receptor | IC50 | = | 998.0 | nM | 6.0 | Inhibition of GAL4 fused TrkA (unknown origin) expressed in PC12 cells transfect... | 27318978 |
| High affinity nerve growth factor receptor | IC50 | = | 997.7 | nM | 6.0 | Inhibition of GAL4 fused TrkA (unknown origin) expressed in PC12 cells transfect... | 27318978 |
| Mitogen-activated protein kinase kinase kinase 5 | IC50 | = | 82700.0 | nM | 4.08 | Inhibition of ASK1 by luciferase assay | 18524589 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27318978 | 10.1016/j.ejmech.2016.06.003 | High affinity nerve growth factor receptor | 3 |
| 18524589 | 10.1016/j.bmcl.2008.05.040 | Mitogen-activated protein kinase kinase kinase 5 | 2 |
| 21515061 | 10.1016/j.bmc.2011.04.008 | ALK tyrosine kinase receptor | 1 |
Data from ChEMBL 36 via Core Engine