Compound Detail
CHEMBL145714
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Basic Information
| ChEMBL ID | CHEMBL145714 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LQJLTYMDYCZNNA-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
523.2
MW (Da)
6.95
ALogP
5
HBA
0
HBD
33.5
PSA (Ų)
0.27
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 1 CHEMBL4777 | Ki | 8.35 | 8.35 | 4.5 | 2 |
| SK-N-MC CHEMBL614163 | Ki | 7.58 | 7.46 | 26.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide Y receptor type 1 | Ki | = | 4.5 | nM | 8.35 | Binding affinity at cloned Neuropeptide Y-1 receptor expressed in AV-12 cells is... | 9871601 |
| Neuropeptide Y receptor type 1 | Ki | = | 4.5 | nM | 8.35 | Ability to displace [125I]-peptide YY binding to cloned human Neuropeptide Y rec... | 10201822 |
| SK-N-MC | Ki | = | 26.0 | nM | 7.58 | Inhibition of NPY induced intracellular Ca++ mobilization in SK-N-MC cells is ev... | 9871601 |
| SK-N-MC | Ki | = | 46.0 | nM | 7.34 | Tested to reverse NPY induced inhibition of forskolin-stimulated cAMP in SK-N-MC... | 9871601 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871601 | 10.1016/s0960-894x(98)00048-1 | SK-N-MC | 2 |
| 9871601 | 10.1016/s0960-894x(98)00048-1 | Neuropeptide Y receptor type 1 | 1 |
| 10201822 | 10.1016/s0960-894x(99)00082-7 | Neuropeptide Y receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine