Compound Detail
CHEMBL44246
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Basic Information
| ChEMBL ID | CHEMBL44246 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KUWBXRGRMQZCSS-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
473.6
MW (Da)
2.59
ALogP
4
HBA
6
HBD
140.3
PSA (Ų)
0.14
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.23
Ki 2 meas. best 8.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 1 CHEMBL4777 | Ki | 8.34 | 8.34 | 4.6 | 1 |
| Neuropeptide Y receptor type 1 CHEMBL4777 | IC50 | 8.23 | 8.0 | 5.9 | 2 |
| SK-N-MC CHEMBL614163 | Ki | 7.96 | 7.96 | 11.0 | 1 |
| Neuropeptide Y receptor type 5 CHEMBL4561 | IC50 | 4.1 | 4.1 | 80000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide Y receptor type 1 | Ki | = | 4.6 | nM | 8.34 | In vitro binding affinity towards human neuropeptide Y receptor type 1, determin... | 9667962 |
| Neuropeptide Y receptor type 1 | IC50 | = | 5.9 | nM | 8.23 | Inhibition of binding of [3H]propionyl-NPY (1 nM) to Neuropeptide Y receptor typ... | 10915060 |
| SK-N-MC | Ki | = | 11.0 | nM | 7.96 | In vitro functional activity determined by its ability to antagonize 1 nM NPYs i... | 9667962 |
| Neuropeptide Y receptor type 1 | IC50 | = | 17.0 | nM | 7.77 | NPY Y1-antagonistic activity in HEL cells by measuring the inhibition of porcine... | 10915060 |
| Neuropeptide Y receptor type 5 | IC50 | = | 80000.0 | nM | 4.1 | Inhibition of binding of [3H]propionyl-NPY (1 nM) to Neuropeptide Y receptor typ... | 10915060 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10915060 | 10.1016/s0960-894x(00)00292-4 | Neuropeptide Y receptor type 1 | 2 |
| 10915060 | 10.1016/s0960-894x(00)00292-4 | Neuropeptide Y receptor type 2 | 1 |
| 10915060 | 10.1016/s0960-894x(00)00292-4 | Neuropeptide Y receptor type 5 | 1 |
| 9667962 | 10.1021/jm9706630 | Neuropeptide Y receptor type 1 | 1 |
| 9667962 | 10.1021/jm9706630 | SK-N-MC | 1 |
Data from ChEMBL 36 via Core Engine