Compound Detail
CHEMBL3559801
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Basic Information
| ChEMBL ID | CHEMBL3559801 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FTIXUILRMBSXNS-UHFFFAOYSA-N |
4
Targets
20
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
248.4
MW (Da)
3.67
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.87
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 17 meas. best 10.52
Ki 3 meas. best 10.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 4 CHEMBL4877 | EC50 | 10.52 | 7.8986 | 0.0 | 14 |
| Neuropeptide Y receptor type 1 CHEMBL4777 | EC50 | 10.4 | 10.4 | 0.0 | 1 |
| Neuropeptide Y receptor type 2 CHEMBL4018 | EC50 | 10.2 | 10.2 | 0.1 | 1 |
| Neuropeptide Y receptor type 4 CHEMBL4877 | Ki | 10.2 | 8.8667 | 0.1 | 3 |
| Neuropeptide Y receptor type 5 CHEMBL4561 | EC50 | 8.5 | 8.5 | 3.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28795803 | 10.1021/acs.jmedchem.7b00976 | Neuropeptide Y receptor type 4 | 46 |
| 28795803 | 10.1021/acs.jmedchem.7b00976 | Neuropeptide Y receptor type 1/2 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 28795803 | 10.1021/acs.jmedchem.7b00976 | Neuropeptide Y receptor type 1 | 1 |
| 28795803 | 10.1021/acs.jmedchem.7b00976 | Neuropeptide Y receptor type 2 | 1 |
| 28795803 | 10.1021/acs.jmedchem.7b00976 | Neuropeptide Y receptor type 5 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine