Compound Detail
CHEMBL421549
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Basic Information
| ChEMBL ID | CHEMBL421549 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OUVHCTWMGVFCDT-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
368.9
MW (Da)
5.40
ALogP
3
HBA
0
HBD
17.4
PSA (Ų)
0.60
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 1 CHEMBL4777 | Ki | 5.64 | 5.635 | 2310.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide Y receptor type 1 | Ki | = | 2310.0 | nM | 5.64 | In vitro binding affinity towards human neuropeptide Y receptor type 1, determin... | 9667962 |
| Neuropeptide Y receptor type 1 | Ki | = | 2315.0 | nM | 5.63 | Binding affinity for Neuropeptide Y receptor type 1 expressed in AV-12 cells | 9371234 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9667962 | 10.1021/jm9706630 | Neuropeptide Y receptor type 1 | 1 |
| 9371234 | 10.1021/jm970512x | Neuropeptide Y receptor type 1 | 1 |
| 9371234 | 10.1021/jm970512x | Neuropeptide Y receptor type 2 | 1 |
| 9371234 | 10.1021/jm970512x | Neuropeptide Y receptor type 4 | 1 |
| 9371234 | 10.1021/jm970512x | Neuropeptide Y receptor type 5 | 1 |
Data from ChEMBL 36 via Core Engine