Compound Detail
CHEMBL61532
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Basic Information
| ChEMBL ID | CHEMBL61532 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SHFZELZOQAXTFF-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
525.1
MW (Da)
6.30
ALogP
6
HBA
1
HBD
51.5
PSA (Ų)
0.28
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.77
IC50 1 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 1 CHEMBL2587 | IC50 | 8.77 | 8.77 | 1.7 | 1 |
| Neuropeptide Y receptor type 1 CHEMBL4777 | Ki | 8.77 | 8.7467 | 1.7 | 3 |
| SK-N-MC CHEMBL614163 | Ki | 8.57 | 8.57 | 2.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide Y receptor type 1 | IC50 | = | 1.7 | nM | 8.77 | The compound was tested for the binding affinity against Neuropeptide Y receptor... | 9925722 |
| Neuropeptide Y receptor type 1 | Ki | = | 1.7 | nM | 8.77 | In vitro binding affinity towards human neuropeptide Y receptor type 1, determin... | 9667962 |
| Neuropeptide Y receptor type 1 | Ki | = | 1.7 | nM | 8.77 | Ability to displace [125I]-peptide YY binding to cloned human Neuropeptide Y rec... | 10201822 |
| Neuropeptide Y receptor type 1 | Ki | = | 2.0 | nM | 8.7 | Binding affinity at cloned Neuropeptide Y receptor type 1 expressed in AV-12 cel... | 9871601 |
| SK-N-MC | Ki | = | 2.7 | nM | 8.57 | In vitro functional activity determined by its ability to antagonize 1 nM NPYs i... | 9667962 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9667962 | 10.1021/jm9706630 | Neuropeptide Y receptor type 1 | 1 |
| 9667962 | 10.1021/jm9706630 | SK-N-MC | 1 |
| 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 |
| 9925722 | 10.1021/jm980521l | Neuropeptide Y receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine