Compound Detail
CHEMBL497854
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Basic Information
| ChEMBL ID | CHEMBL497854 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MJQVDJSEAMOVCO-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
390.2
MW (Da)
3.49
ALogP
7
HBA
3
HBD
104.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
| BDNF/NT-3 growth factors receptor CHEMBL4898 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 | IC50 | = | 110.0 | nM | 6.96 | Inhibition of CDK2 | 18646745 |
| High affinity nerve growth factor receptor | IC50 | = | 270.0 | nM | 6.57 | Inhibition of human TrkA expressed in Sf9 cells by amplified luminescent proximi... | 18646745 |
| BDNF/NT-3 growth factors receptor | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of human TrkB expressed in Sf9 cells by homogeneous time-resolved flu... | 18646745 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3301361 | No relevant target | 2 |
| 18646745 | 10.1021/jm800343j | BDNF/NT-3 growth factors receptor | 1 |
| 18646745 | 10.1021/jm800343j | High affinity nerve growth factor receptor | 1 |
| 18646745 | 10.1021/jm800343j | Cyclin-dependent kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine