Compound Detail
CHEMBL52332
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O=C(NC[C@H]1CC[C@H](CNS(=O)(=O)c2ccc3cccc([N+](=O)[O-])c3c2)CC1)C1CCc2ccccc2C1
Basic Information
| ChEMBL ID | CHEMBL52332 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OJLYLHSLPXZUCU-FPCUACJBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
535.7
MW (Da)
4.75
ALogP
5
HBA
2
HBD
118.4
PSA (Ų)
0.32
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 5 CHEMBL4561 | Ki | 6.14 | 6.14 | 724.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide Y receptor type 5 | Ki | = | 724.0 | nM | 6.14 | Displacement of [125I]PYY from human Neuropeptide Y receptor type 5 in COS-7 cel... | 12067558 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12067558 | 10.1016/s0960-894x(02)00288-3 | Neuropeptide Y receptor type 5 | 1 |
Data from ChEMBL 36 via Core Engine