Compound Detail
CHEMBL2165921
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Basic Information
| ChEMBL ID | CHEMBL2165921 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YHJDDQZWQGAPGR-CGOBSMCZSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
375.1
MW (Da)
3.54
ALogP
3
HBA
3
HBD
87.4
PSA (Ų)
0.44
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide FF receptor 2 CHEMBL5952 | EC50 | 5.9 | 5.84 | 1256.0 | 2 |
| Neuropeptide FF receptor 1 CHEMBL5951 | EC50 | 5.34 | 5.295 | 4608.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide FF receptor 2 | EC50 | = | 1256.0 | nM | 5.9 | Agonist activity at human NPFF2 receptor F/Y7.35A mutant assessed as [3H]inosito... | 22708927 |
| Neuropeptide FF receptor 2 | EC50 | = | 1661.0 | nM | 5.78 | Agonist activity at human NPFF2 receptor expressed in COS1 cells assessed as [3H... | 22708927 |
| Neuropeptide FF receptor 1 | EC50 | = | 4608.0 | nM | 5.34 | Agonist activity at human NPFF1 receptor Y7.33A mutant assessed as [3H]inositol ... | 22708927 |
| Neuropeptide FF receptor 1 | EC50 | = | 5624.0 | nM | 5.25 | Agonist activity at human NPFF1 receptor expressed in COS1 cells assessed as [3H... | 22708927 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22708927 | 10.1021/jm300535s | Neuropeptide FF receptor 1 | 13 |
| 22708927 | 10.1021/jm300535s | Neuropeptide FF receptor 2 | 12 |
Data from ChEMBL 36 via Core Engine