Compound Detail
CHEMBL4074055
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Basic Information
| ChEMBL ID | CHEMBL4074055 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OEJQBEJOXJYPRT-NVNXTCNLSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
290.3
MW (Da)
3.67
ALogP
2
HBA
2
HBD
54.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 7.57 | 6.5567 | 27.2 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| High affinity nerve growth factor receptor | IC50 | = | 27.21 | nM | 7.57 | Inhibition of TrkA (unknown origin) | 27318978 |
| High affinity nerve growth factor receptor | IC50 | = | 887.0 | nM | 6.05 | Inhibition of GAL4 fused TrkA (unknown origin) expressed in PC12 cells transfect... | 27318978 |
| High affinity nerve growth factor receptor | IC50 | = | 887.16 | nM | 6.05 | Inhibition of GAL4 fused TrkA (unknown origin) expressed in PC12 cells transfect... | 27318978 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28406627 | 10.1021/acs.jmedchem.6b01593 | G-protein coupled receptor 84 | 4 |
| 27318978 | 10.1016/j.ejmech.2016.06.003 | High affinity nerve growth factor receptor | 3 |
| 28406627 | 10.1021/acs.jmedchem.6b01593 | Free fatty acid receptor 4 | 2 |
| 28406627 | 10.1021/acs.jmedchem.6b01593 | Free fatty acid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine