Compound Detail
CHEMBL5276440
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O=C(c1cccc(-c2n[nH]c3ncc(Cc4cc(F)ccc4F)cc23)c1)N1CCC[C@@H](O)C1
Basic Information
| ChEMBL ID | CHEMBL5276440 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JRLOPMVTMMPZMV-HXUWFJFHSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
448.5
MW (Da)
4.09
ALogP
4
HBA
2
HBD
82.1
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 7.24 | 7.24 | 57.0 | 1 |
| NT-3 growth factor receptor CHEMBL5608 | IC50 | 7.08 | 7.08 | 83.0 | 1 |
| BDNF/NT-3 growth factors receptor CHEMBL4898 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
| Serine/threonine-protein kinase PLK4 CHEMBL3788 | IC50 | 6.16 | 6.16 | 690.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| High affinity nerve growth factor receptor | IC50 | = | 57.0 | nM | 7.24 | Inhibition of TRKA (unknown origin) using TK as substrate in presence of ATP inc... | 36760745 |
| NT-3 growth factor receptor | IC50 | = | 83.0 | nM | 7.08 | Inhibition of TRKC (unknown origin) using TK as substrate in presence of ATP inc... | 36760745 |
| BDNF/NT-3 growth factors receptor | IC50 | = | 90.0 | nM | 7.05 | Inhibition of TRKB (unknown origin) using TK as substrate in presence of ATP inc... | 36760745 |
| Serine/threonine-protein kinase PLK4 | IC50 | = | 690.0 | nM | 6.16 | Inhibition of PLK4 (unknown origin) | 36760745 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36760745 | 10.1039/d2md00334a | Serine/threonine-protein kinase PAK 4 | 1 |
| 36760745 | 10.1039/d2md00334a | Serine/threonine-protein kinase PLK4 | 1 |
| 36760745 | 10.1039/d2md00334a | Focal adhesion kinase 1 | 1 |
| 36760745 | 10.1039/d2md00334a | NT-3 growth factor receptor | 1 |
| 36760745 | 10.1039/d2md00334a | High affinity nerve growth factor receptor | 1 |
| 36760745 | 10.1039/d2md00334a | BDNF/NT-3 growth factors receptor | 1 |
Data from ChEMBL 36 via Core Engine