Compound Detail
CHEMBL4440941
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Basic Information
| ChEMBL ID | CHEMBL4440941 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GVHZDSHDWRCEKJ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
434.5
MW (Da)
3.92
ALogP
6
HBA
2
HBD
102.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 7.01 | 5.855 | 97.4 | 2 |
| BDNF/NT-3 growth factors receptor CHEMBL4898 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| High affinity nerve growth factor receptor | IC50 | = | 97.4 | nM | 7.01 | Inhibition of recombinant human His-tagged TrkA kinase domain (441-796 residues)... | 31444087 |
| High affinity nerve growth factor receptor | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of recombinant full length human TrkA transfected in CHO cells assess... | 31444087 |
| BDNF/NT-3 growth factors receptor | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of recombinant full length human TrkB transfected in CHO cells assess... | 31444087 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31444087 | 10.1016/j.bmcl.2019.126624 | High affinity nerve growth factor receptor | 4 |
| 31444087 | 10.1016/j.bmcl.2019.126624 | BDNF/NT-3 growth factors receptor | 1 |
Data from ChEMBL 36 via Core Engine