Compound Detail
CHEMBL2165922
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Basic Information
| ChEMBL ID | CHEMBL2165922 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JQWIROUDWSKVDL-VIZOYTHASA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
220.3
MW (Da)
1.67
ALogP
2
HBA
3
HBD
74.3
PSA (Ų)
0.38
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 6.53
Kd 1 meas. best 7.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide FF receptor 1 CHEMBL5951 | Kd | 7.38 | 7.38 | 41.7 | 1 |
| Neuropeptide FF receptor 2 CHEMBL5952 | EC50 | 6.53 | 5.758 | 298.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide FF receptor 1 | Kd | = | 41.69 | nM | 7.38 | Competitive antagonist activity at human NPFF1 receptor expressed in COS1 cells ... | 22708927 |
| Neuropeptide FF receptor 2 | EC50 | = | 298.0 | nM | 6.53 | Agonist activity at human NPFF2 receptor expressed in COS1 cells assessed as [3H... | 22708927 |
| Neuropeptide FF receptor 2 | EC50 | = | 301.0 | nM | 6.52 | Agonist activity at human NPFF2 receptor F/Y7.35A mutant assessed as [3H]inosito... | 22708927 |
| Neuropeptide FF receptor 2 | EC50 | = | 2449.0 | nM | 5.61 | Agonist activity at human NPFF2 receptor Y5.38A mutant assessed as [3H]inositol ... | 22708927 |
| Neuropeptide FF receptor 2 | EC50 | = | 8332.0 | nM | 5.08 | Agonist activity at human NPFF2 receptor Y7.33A mutant assessed as [3H]inositol ... | 22708927 |
| Neuropeptide FF receptor 2 | EC50 | = | 8860.0 | nM | 5.05 | Agonist activity at human NPFF2 receptor D6.59A mutant assessed as [3H]inositol ... | 22708927 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22708927 | 10.1021/jm300535s | Neuropeptide FF receptor 2 | 13 |
| 22708927 | 10.1021/jm300535s | Neuropeptide FF receptor 1 | 5 |
Data from ChEMBL 36 via Core Engine