Compound Detail
CHEMBL1836324
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Basic Information
| ChEMBL ID | CHEMBL1836324 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WENDLSLEOSIVLM-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
411.6
MW (Da)
3.98
ALogP
6
HBA
2
HBD
71.1
PSA (Ų)
0.61
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.22
Ki 1 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 5 CHEMBL4561 | IC50 | 9.22 | 9.22 | 0.6 | 1 |
| Neuropeptide Y receptor type 5 CHEMBL4561 | Ki | 9.1 | 9.1 | 0.8 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | - | - | Rattus norvegicus |
| CL | - | - | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide Y receptor type 5 | IC50 | = | 0.6 | nM | 9.22 | Antagonist activity at human NPY5 receptor assessed as calcium mobilization by F... | 21782428 |
| Neuropeptide Y receptor type 5 | Ki | = | 0.8 | nM | 9.1 | 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 | Liver microsomes | 2 |
| 21782428 | 10.1016/j.bmcl.2011.06.124 | Neuropeptide Y receptor type 5 | 2 |
| 21782428 | 10.1016/j.bmcl.2011.06.124 | Brain | 1 |
| 21782428 | 10.1016/j.bmcl.2011.06.124 | Plasma | 1 |
Data from ChEMBL 36 via Core Engine