Compound Detail
CHEMBL1440955
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Basic Information
| ChEMBL ID | CHEMBL1440955 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XONGSSUPQAWLHA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
405.5
MW (Da)
3.28
ALogP
7
HBA
3
HBD
114.5
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| High affinity nerve growth factor receptor | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of recombinant human His-tagged TrkA kinase domain (441-796 residues)... | 31444087 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31444087 | 10.1016/j.bmcl.2019.126624 | High affinity nerve growth factor receptor | 3 |
Data from ChEMBL 36 via Core Engine