Compound Detail
CHEMBL378978
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Basic Information
| ChEMBL ID | CHEMBL378978 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OJNYWHSZTYNGPE-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
356.9
MW (Da)
2.94
ALogP
5
HBA
3
HBD
97.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 8.15 | 7.335 | 7.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| High affinity nerve growth factor receptor | IC50 | = | 7.0 | nM | 8.15 | Inhibition of TrkA kinase | 16632359 |
| High affinity nerve growth factor receptor | IC50 | = | 300.0 | nM | 6.52 | Inhibition of PAE cells overexpressing TrkA | 16632359 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16632359 | 10.1016/j.bmcl.2006.04.003 | High affinity nerve growth factor receptor | 2 |
| 16632359 | 10.1016/j.bmcl.2006.04.003 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine