Compound Detail
CHEMBL516142
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CN(C)C(=O)C[C@H](Nc1ncc(Cl)c(Nc2cc(C3CC3)[nH]n2)n1)c1ccc(F)cc1
Basic Information
| ChEMBL ID | CHEMBL516142 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HRMCEFNIUDHQEI-INIZCTEOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
443.9
MW (Da)
4.24
ALogP
6
HBA
3
HBD
98.8
PSA (Ų)
0.48
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| High affinity nerve growth factor receptor | IC50 | = | 13.0 | nM | 7.89 | 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