Compound Detail
CHEMBL5866230
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CCC(c1ccc(OCc2ccc(C(F)(F)F)nc2)c(OC)c1)n1c(N)nc2cc(-c3cnn(C)c3)cnc21
Basic Information
| ChEMBL ID | CHEMBL5866230 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OEQLJMGIZHYYCW-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
537.5
MW (Da)
5.41
ALogP
9
HBA
1
HBD
105.9
PSA (Ų)
0.28
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BDNF/NT-3 growth factors receptor CHEMBL4898 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BDNF/NT-3 growth factors receptor | IC50 | = | 4.0 | nM | 8.4 | TrkB Activity: Reagents and consumables were purchased from Sigma Aldrich, Carna... | - |
| High affinity nerve growth factor receptor | IC50 | = | 17.0 | nM | 7.77 | TrkA Activity: Reagents and consumables were purchased from Sigma Aldrich, Carna... | - |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 25.0 | nM | 7.6 | c-FMS Activity: Reagents and consumables were purchased from Sigma Aldrich, Carn... | - |
Data from ChEMBL 36 via Core Engine