Compound Detail
CHEMBL514257
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Basic Information
| ChEMBL ID | CHEMBL514257 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FXSOVNSBVDXYOV-HNNXBMFYSA-N |
1
Targets
2
Activities
2
Assay Types
5
PK Parameters
6
Publications
0
Known Names
Molecular Properties
388.8
MW (Da)
3.76
ALogP
6
HBA
4
HBD
98.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.4
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 | 8.4 | 8.4 | 4.0 | 1 |
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 87.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 71.0 | % | Rattus norvegicus |
| Fu | 0.044 | - | Homo sapiens |
| T1/2 | 1.9 | hr | Rattus norvegicus |
| Vd | 6.9 | L.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| High affinity nerve growth factor receptor | EC50 | = | 4.0 | nM | 8.4 | Inhibition of TrkA phosphorylation in human MVF10A cells overexpressing TrkA del... | 18646745 |
| High affinity nerve growth factor receptor | IC50 | = | 10.0 | nM | 8.0 | Inhibition of human TrkA expressed in Sf9 cells by amplified luminescent proximi... | 18646745 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18646745 | 10.1021/jm800343j | Rattus norvegicus | 4 |
| 18646745 | 10.1021/jm800343j | High affinity nerve growth factor receptor | 2 |
| - | 10.6019/CHEMBL3301361 | ADMET | 2 |
| 18646745 | 10.1021/jm800343j | Plasma | 1 |
| 18646745 | 10.1021/jm800343j | No relevant target | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine