Compound Detail
CHEMBL456549
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Basic Information
| ChEMBL ID | CHEMBL456549 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UEBUEWAMMXNGMS-LLVKDONJSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
399.3
MW (Da)
4.76
ALogP
5
HBA
3
HBD
78.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 6.3 | 6.3 | 500.0 | 2 |
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 6.19 | 6.19 | 650.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor | IC50 | = | 500.0 | nM | 6.3 | Inhibition of human IGF1R kinase domain (M954 to C1367 residues) un-phosphorylat... | - |
| Insulin-like growth factor 1 receptor | IC50 | = | 500.0 | nM | 6.3 | Inhibition of human IGF1R kinase domain (M954 to C1367 residues) tri-phosphoryla... | - |
| High affinity nerve growth factor receptor | IC50 | = | 650.0 | nM | 6.19 | Inhibition of human TrkA expressed in Sf9 cells by amplified luminescent proximi... | 18646745 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18646745 | 10.1021/jm800343j | High affinity nerve growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine