Compound Detail
CHEMBL2151319
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Basic Information
| ChEMBL ID | CHEMBL2151319 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YKPNHIXFGPKGEI-JTQLQIEISA-N |
1
Targets
1
Activities
1
Assay Types
4
PK Parameters
8
Publications
0
Known Names
Molecular Properties
364.4
MW (Da)
3.12
ALogP
7
HBA
2
HBD
97.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 39.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 33.0 | % | Rattus norvegicus |
| Fu | 0.16 | - | Homo sapiens |
| T1/2 | 1.2 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| High affinity nerve growth factor receptor | IC50 | = | 3.0 | nM | 8.52 | Amplified Luminescent Proximity Assay: To measure JAK2 kinase activity, a commer... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900538 | 10.1021/ml300074j | Rattus norvegicus | 3 |
| 24900538 | 10.1021/ml300074j | Unchecked | 1 |
| 24900538 | 10.1021/ml300074j | Hepatocyte | 1 |
| 24900538 | 10.1021/ml300074j | No relevant target | 1 |
| 24900538 | 10.1021/ml300074j | Plasma | 1 |
| 24900538 | 10.1021/ml300074j | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| - | 10.6019/CHEMBL3301361 | ADMET | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine