Compound Detail
CHEMBL5288589
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Basic Information
| ChEMBL ID | CHEMBL5288589 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FRECJHDRGHRISJ-WKILWMFISA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
383.4
MW (Da)
2.51
ALogP
6
HBA
3
HBD
91.5
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 8.8 | 8.8 | 1.6 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.98 | 7.98 | 10.5 | 1 |
| BaF3 CHEMBL614524 | IC50 | 6.5 | 6.5 | 316.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| High affinity nerve growth factor receptor | IC50 | = | 1.6 | nM | 8.8 | Inhibition of wild type TRAK (unknown origin) incubated for 30 mins by caliper m... | 33069129 |
| Unchecked | IC50 | = | 10.5 | nM | 7.98 | Inhibition of Trk-A F595R mutant (unknown origin) incubated for 30 mins by calip... | 33069129 |
| BaF3 | IC50 | = | 316.4 | nM | 6.5 | Antiproliferative activity against mouse BaF3-LMNA-NTRK1 cells assessed as cell ... | 33069129 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33069129 | 10.1016/j.bmc.2020.115811 | High affinity nerve growth factor receptor | 2 |
| 33069129 | 10.1016/j.bmc.2020.115811 | Unchecked | 2 |
| 33069129 | 10.1016/j.bmc.2020.115811 | BaF3 | 2 |
Data from ChEMBL 36 via Core Engine