Compound Detail
CHEMBL517943
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Basic Information
| ChEMBL ID | CHEMBL517943 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SDNIEOMSMZTJNX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
403.3
MW (Da)
4.33
ALogP
5
HBA
3
HBD
78.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| High affinity nerve growth factor receptor | IC50 | = | 100.0 | nM | 7.0 | Inhibition of human TrkA expressed in Sf9 cells by amplified luminescent proximi... | 18646745 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18646745 | 10.1021/jm800343j | Liver microsomes | 1 |
| 18646745 | 10.1021/jm800343j | High affinity nerve growth factor receptor | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine