Compound Detail
CHEMBL51874
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O=S(=O)(NC[C@H]1CC[C@H](CNCc2cccc3ccccc23)CC1)c1ccccc1C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL51874 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | URPWMOSRWQOQTP-MXVIHJGJSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
490.6
MW (Da)
5.73
ALogP
3
HBA
2
HBD
58.2
PSA (Ų)
0.42
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 5 CHEMBL4561 | Ki | 7.58 | 7.58 | 26.0 | 1 |
| Neuropeptide Y receptor type 1 CHEMBL4777 | Ki | 4.84 | 4.84 | 14454.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide Y receptor type 5 | Ki | = | 26.0 | nM | 7.58 | Tested for radioligand binding affinity against membranes from COS-7 cells trans... | 12067557 |
| Neuropeptide Y receptor type 1 | Ki | = | 14454.0 | nM | 4.84 | Tested for radioligand binding affinity against membranes from COS-7 cells trans... | 12067557 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12067557 | 10.1016/s0960-894x(02)00287-1 | Neuropeptide Y receptor type 1 | 1 |
| 12067557 | 10.1016/s0960-894x(02)00287-1 | Neuropeptide Y receptor type 5 | 1 |
Data from ChEMBL 36 via Core Engine