Compound Detail
CHEMBL4858347
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CN1CCN(c2cccc(C(=O)Nc3n[nH]c4c3CN(Cc3cc(F)cc(F)c3)C4(C)C)c2)CC1
Basic Information
| ChEMBL ID | CHEMBL4858347 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KMRRAHVRJDHPQG-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
480.6
MW (Da)
3.94
ALogP
5
HBA
2
HBD
67.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NT-3 growth factor receptor CHEMBL5608 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
| BDNF/NT-3 growth factors receptor CHEMBL4898 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NT-3 growth factor receptor | IC50 | = | 100.0 | nM | 7.0 | Inhibition of N-terminal GST-tagged human TRKC (456 to 825 residues) expressed i... | 34171657 |
| High affinity nerve growth factor receptor | IC50 | = | 150.0 | nM | 6.82 | Inhibition of N-terminal GST-tagged human TRKA (436 to 790 residues) expressed i... | 34171657 |
| BDNF/NT-3 growth factors receptor | IC50 | = | 190.0 | nM | 6.72 | Inhibition of N-terminal GST-tagged human TRKB (456 to 822 residues) expressed i... | 34171657 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34171657 | 10.1016/j.ejmech.2021.113627 | High affinity nerve growth factor receptor | 1 |
| 34171657 | 10.1016/j.ejmech.2021.113627 | BDNF/NT-3 growth factors receptor | 1 |
| 34171657 | 10.1016/j.ejmech.2021.113627 | NT-3 growth factor receptor | 1 |
| 34171657 | 10.1016/j.ejmech.2021.113627 | KM12 | 1 |
Data from ChEMBL 36 via Core Engine