Compound Detail
CHEMBL4439176
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Basic Information
| ChEMBL ID | CHEMBL4439176 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BUPMTJAOXVYJAY-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
416.5
MW (Da)
5.01
ALogP
4
HBA
3
HBD
88.3
PSA (Ų)
0.40
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 6.9 | 5.8 | 126.0 | 2 |
| BDNF/NT-3 growth factors receptor CHEMBL4898 | IC50 | 5.04 | 5.04 | 9064.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| High affinity nerve growth factor receptor | IC50 | = | 126.0 | nM | 6.9 | Inhibition of His-tagged recombinant human ATP-activated TRKA kinase domain (441... | 31610943 |
| BDNF/NT-3 growth factors receptor | IC50 | = | 9064.5 | nM | 5.04 | Inhibition of human full length TRKB expressed in CHO cells assessed as decrease... | 31610943 |
| High affinity nerve growth factor receptor | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of human full length TRKA expressed in CHO cells assessed as decrease... | 31610943 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31610943 | 10.1016/j.bmcl.2019.126680 | High affinity nerve growth factor receptor | 4 |
| 31610943 | 10.1016/j.bmcl.2019.126680 | BDNF/NT-3 growth factors receptor | 1 |
Data from ChEMBL 36 via Core Engine