Compound Detail
CHEMBL321955
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Basic Information
| ChEMBL ID | CHEMBL321955 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AFTGOSQNWXOYGE-AUWJEWJLSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
339.4
MW (Da)
2.31
ALogP
3
HBA
3
HBD
105.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 7.95 | 6.9633 | 11.1 | 3 |
| Tyrosine-protein kinase SYK CHEMBL2599 | IC50 | 6.89 | 6.89 | 128.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| High affinity nerve growth factor receptor | IC50 | = | 11.14 | nM | 7.95 | Inhibition of TrkA (unknown origin) | 27318978 |
| Tyrosine-protein kinase SYK | IC50 | = | 128.0 | nM | 6.89 | Inhibitory activity against human Syk protein tyrosine kinase expressed in yeast... | 12941345 |
| High affinity nerve growth factor receptor | IC50 | = | 342.0 | nM | 6.47 | Inhibition of GAL4 fused TrkA (unknown origin) expressed in PC12 cells transfect... | 27318978 |
| High affinity nerve growth factor receptor | IC50 | = | 341.98 | nM | 6.47 | Inhibition of GAL4 fused TrkA (unknown origin) expressed in PC12 cells transfect... | 27318978 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27318978 | 10.1016/j.ejmech.2016.06.003 | High affinity nerve growth factor receptor | 3 |
| 12941345 | 10.1016/s0960-894x(03)00658-9 | Tyrosine-protein kinase SYK | 1 |
Data from ChEMBL 36 via Core Engine