Compound Detail
CHEMBL1836315
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Cn1cnc(S(=O)(=O)NC[C@H]2CC[C@H](Nc3nc4c(s3)CCSc3ccccc3-4)CC2)c1
Basic Information
| ChEMBL ID | CHEMBL1836315 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RDZDUCYYNHXVJR-WKILWMFISA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
489.7
MW (Da)
4.14
ALogP
8
HBA
2
HBD
88.9
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.98
Ki 1 meas. best 7.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 5 CHEMBL4561 | IC50 | 7.98 | 7.98 | 10.4 | 1 |
| Neuropeptide Y receptor type 5 CHEMBL4561 | Ki | 7.67 | 7.67 | 21.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide Y receptor type 5 | IC50 | = | 10.4 | nM | 7.98 | Antagonist activity at human NPY5 receptor assessed as calcium mobilization by F... | 21782428 |
| Neuropeptide Y receptor type 5 | Ki | = | 21.5 | nM | 7.67 | Antagonist activity at human NPY5 receptor assessed as calcium mobilization by F... | 21782428 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21782428 | 10.1016/j.bmcl.2011.06.124 | Neuropeptide Y receptor type 5 | 2 |
| 21782428 | 10.1016/j.bmcl.2011.06.124 | Neuropeptide Y receptor type 1 | 1 |
| 21782428 | 10.1016/j.bmcl.2011.06.124 | Neuropeptide Y receptor type 2 | 1 |
| 21782428 | 10.1016/j.bmcl.2011.06.124 | Neuropeptide Y receptor type 4 | 1 |
Data from ChEMBL 36 via Core Engine