Compound Detail
CHEMBL5418831
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Basic Information
| ChEMBL ID | CHEMBL5418831 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AQDPLUNNEVGKGA-ZDLGFXPLSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
367.8
MW (Da)
4.91
ALogP
2
HBA
3
HBD
56.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| 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 | 6.935 | 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 N-terminal GST-tagged human recombinant wild type TRKA (440 to end... | 37030091 |
| High affinity nerve growth factor receptor | IC50 | = | 1920.0 | nM | 5.72 | Inhibition of N-terminal GST-tagged human recombinant TRKA G595R mutant (440 to ... | 37030091 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37030091 | 10.1016/j.ejmech.2023.115291 | High affinity nerve growth factor receptor | 2 |
Data from ChEMBL 36 via Core Engine