Compound Detail
CHEMBL5770922
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COc1cc(C(C)n2c(N)nc3cc(-c4cnn(C)c4)cnc32)ccc1OCc1ccc(C(F)(F)F)cc1
Basic Information
| ChEMBL ID | CHEMBL5770922 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GJQVPMWSXKFICV-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
522.5
MW (Da)
5.63
ALogP
8
HBA
1
HBD
93.0
PSA (Ų)
0.30
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 9.52 | 9.52 | 0.3 | 1 |
| BDNF/NT-3 growth factors receptor CHEMBL4898 | IC50 | 9.22 | 9.22 | 0.6 | 1 |
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| High affinity nerve growth factor receptor | IC50 | = | 0.3 | nM | 9.52 | TrkA Activity: Reagents and consumables were purchased from Sigma Aldrich, Carna... | - |
| BDNF/NT-3 growth factors receptor | IC50 | = | 0.6 | nM | 9.22 | TrkB Activity: Reagents and consumables were purchased from Sigma Aldrich, Carna... | - |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 19.0 | nM | 7.72 | c-FMS Activity: Reagents and consumables were purchased from Sigma Aldrich, Carn... | - |
Data from ChEMBL 36 via Core Engine