Compound Detail
CHEMBL299295
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O=S(=O)(NC[C@H]1CC[C@H](CNC(CO)Cc2ccc(Cl)cc2)CC1)c1cccc2ccccc12
Basic Information
| ChEMBL ID | CHEMBL299295 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MIJURWGAJOJXOR-RFJGZHNSSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
501.1
MW (Da)
4.77
ALogP
4
HBA
3
HBD
78.4
PSA (Ų)
0.37
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 5 CHEMBL4561 | Ki | 7.77 | 7.77 | 17.0 | 1 |
| Neuropeptide Y receptor type 1 CHEMBL4777 | Ki | 5.49 | 5.49 | 3236.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide Y receptor type 5 | Ki | = | 17.0 | nM | 7.77 | Tested for radioligand binding affinity against membranes from COS-7 cells trans... | 12067557 |
| Neuropeptide Y receptor type 1 | Ki | = | 3236.0 | nM | 5.49 | 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