Compound Detail
CHEMBL1771261
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 | CHEMBL1771261 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BDXJFKAUYFPXFH-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
3
PK Parameters
2
Publications
0
Known Names
Molecular Properties
492.4
MW (Da)
5.29
ALogP
7
HBA
2
HBD
72.7
PSA (Ų)
0.40
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.68
Ki 1 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 1 CHEMBL4777 | Ki | 8.1 | 8.1 | 8.0 | 1 |
| Neuropeptide Y receptor type 1 CHEMBL4777 | IC50 | 6.68 | 6.68 | 207.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 25.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 2273.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Fu | 0.011 | - | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide Y receptor type 1 | Ki | = | 8.0 | nM | 8.1 | Displacement of [125I]-PYY from human recombinant NPY Y1 receptor overexpressed ... | 21295475 |
| Neuropeptide Y receptor type 1 | IC50 | = | 207.0 | nM | 6.68 | Antagonist activity at NPY Y1 receptor in human SK-N-MC cells assessed as inhibi... | 21295475 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21295475 | 10.1016/j.bmcl.2010.12.116 | Rattus norvegicus | 4 |
| 21295475 | 10.1016/j.bmcl.2010.12.116 | Neuropeptide Y receptor type 1 | 2 |
Data from ChEMBL 36 via Core Engine