Compound Detail
CHEMBL17022
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Basic Information
| ChEMBL ID | CHEMBL17022 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RAXITVOBPBHKDQ-YHBQERECSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
472.6
MW (Da)
5.87
ALogP
3
HBA
2
HBD
58.2
PSA (Ų)
0.34
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.33
Ki 1 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 5 CHEMBL4561 | Ki | 7.5 | 7.5 | 32.0 | 1 |
| Neuropeptide Y receptor type 5 CHEMBL4561 | IC50 | 7.33 | 7.33 | 47.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide Y receptor type 5 | Ki | = | 32.0 | nM | 7.5 | Binding affinity to NPY5 receptor | 21782428 |
| Neuropeptide Y receptor type 5 | IC50 | = | 47.0 | nM | 7.33 | Compound was tested for its affinity to bind with Neuropeptide Y receptor type 5 | 10866375 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10866375 | 10.1016/s0960-894x(00)00177-3 | Neuropeptide Y receptor type 5 | 1 |
| 10866375 | 10.1016/s0960-894x(00)00177-3 | Neuropeptide Y receptor type 1 | 1 |
| 21782428 | 10.1016/j.bmcl.2011.06.124 | Neuropeptide Y receptor type 5 | 1 |
Data from ChEMBL 36 via Core Engine