Compound Detail
CHEMBL457393
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Basic Information
| ChEMBL ID | CHEMBL457393 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZVDOVCKXUJFELK-VIFPVBQESA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
357.4
MW (Da)
3.67
ALogP
6
HBA
3
HBD
91.4
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.15
IC50 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity nerve growth factor receptor CHEMBL2815 | EC50 | 8.15 | 8.15 | 7.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| High affinity nerve growth factor receptor | EC50 | = | 7.0 | nM | 8.15 | Inhibition of TrkA phosphorylation in human MVF10A cells overexpressing TrkA del... | 18646745 |
| Unchecked | IC50 | = | 10.0 | nM | 8.0 | Inhibition of TRK (unknown origin) | 31077998 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3301361 | ADMET | 4 |
| 18646745 | 10.1021/jm800343j | High affinity nerve growth factor receptor | 1 |
| 18646745 | 10.1021/jm800343j | No relevant target | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
| 31077998 | 10.1016/j.ejmech.2019.04.053 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine