Compound Detail
CHEMBL120117
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL120117 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AQNIAXWUGXAORM-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
289.3
MW (Da)
4.16
ALogP
2
HBA
1
HBD
41.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.41
Ki 1 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 5 CHEMBL4561 | Ki | 7.57 | 7.57 | 27.0 | 1 |
| HMCB cell line CHEMBL614824 | EC50 | 7.41 | 7.41 | 39.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide Y receptor type 5 | Ki | = | 27.0 | nM | 7.57 | Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY a... | 14505677 |
| HMCB cell line | EC50 | = | 39.0 | nM | 7.41 | Compound was tested for [Ca2+] mobilization in NPY5 transfected human Bowes mela... | 14505677 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14505677 | 10.1016/s0960-894x(03)00747-9 | Neuropeptide Y receptor type 5 | 1 |
| 14505677 | 10.1016/s0960-894x(03)00747-9 | HMCB cell line | 1 |
Data from ChEMBL 36 via Core Engine