Compound Detail
CHEMBL161724
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Basic Information
| ChEMBL ID | CHEMBL161724 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SDXRWXOUFKHXTG-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
9
PK Parameters
6
Publications
0
Known Names
Molecular Properties
362.4
MW (Da)
4.20
ALogP
5
HBA
1
HBD
83.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.92
IC50 1 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 5 CHEMBL4561 | Ki | 8.92 | 8.92 | 1.2 | 2 |
| Neuropeptide Y receptor type 5 CHEMBL2548 | Ki | 8.77 | 8.77 | 1.7 | 1 |
| HMCB cell line CHEMBL614824 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Cmax | 4420.0 | nM | Rattus norvegicus |
| Cmax | 8550.0 | nM | Rattus norvegicus |
| Cmax | 213.0 | nM | Rattus norvegicus |
| T1/2 | 1.1 | hr | Rattus norvegicus |
| T1/2 | 1.1 | hr | Rattus norvegicus |
| T1/2 | 1.6 | hr | Rattus norvegicus |
| Tmax | 0.5 | hr | Rattus norvegicus |
| Tmax | 0.5 | hr | Rattus norvegicus |
| Tmax | 0.5 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide Y receptor type 5 | Ki | = | 1.2 | nM | 8.92 | Binding affinity to the human Neuropeptide Y receptor type 5 was determined usin... | 12593645 |
| Neuropeptide Y receptor type 5 | Ki | = | 1.2 | nM | 8.92 | Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in ins... | 22445286 |
| Neuropeptide Y receptor type 5 | Ki | = | 1.7 | nM | 8.77 | Binding affinity to the rat Neuropeptide Y receptor type 5 was determined using ... | 12593645 |
| HMCB cell line | IC50 | = | 400.0 | nM | 6.4 | Inhibitory activity against calcium mobilization in NPY5 transfected human bowes... | 12593645 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12593645 | 10.1021/jm025584p | Rattus norvegicus | 9 |
| 12593645 | 10.1021/jm025584p | Neuropeptide Y receptor type 5 | 2 |
| 12593645 | 10.1021/jm025584p | Neuropeptide Y receptor type 1 | 1 |
| 12593645 | 10.1021/jm025584p | Neuropeptide Y receptor type 2 | 1 |
| 12593645 | 10.1021/jm025584p | HMCB cell line | 1 |
| 22445286 | 10.1016/j.bmcl.2012.02.098 | Neuropeptide Y receptor type 5 | 1 |
Data from ChEMBL 36 via Core Engine