Compound Detail
CHEMBL491288
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 | CHEMBL491288 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZBGKXIUDBXMCLF-ZSEKCTLFSA-N |
1
Targets
3
Activities
2
Assay Types
11
PK Parameters
18
Publications
0
Known Names
Molecular Properties
375.4
MW (Da)
3.31
ALogP
5
HBA
1
HBD
74.0
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.89
IC50 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 5 CHEMBL4561 | Ki | 8.89 | 8.89 | 1.3 | 2 |
| Neuropeptide Y receptor type 5 CHEMBL4561 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 675.68 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 1726.75 | ng.hr.mL-1 | Macaca mulatta |
| CL | 18.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 20.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 8.0 | mL.min-1.kg-1 | Macaca mulatta |
| Cmax | 500.0 | nM | Rattus norvegicus |
| Cmax | 590.0 | nM | Macaca mulatta |
| Cmax | 12000.0 | nM | Canis lupus familiaris |
| Cmax | 25000.0 | nM | Canis lupus familiaris |
| F | 77.0 | % | Rattus norvegicus |
| F | 76.0 | % | Macaca mulatta |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide Y receptor type 5 | Ki | = | 1.3 | nM | 8.89 | Displacement of [125I]PYY from human recombinant neuropeptide Y5 receptor expres... | 19459652 |
| Neuropeptide Y receptor type 5 | Ki | = | 1.3 | nM | 8.89 | Binding affinity to human NPYY5 receptor | 19616955 |
| Neuropeptide Y receptor type 5 | IC50 | = | 2.0 | nM | 8.7 | Antagonist activity at human recombinant neuropeptide Y5 receptor expressed in C... | 19459652 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19459652 | 10.1021/jm900110t | Canis familiaris | 9 |
| 19459652 | 10.1021/jm900110t | Rattus norvegicus | 9 |
| 19459652 | 10.1021/jm900110t | Rhesus monkey | 5 |
| 19459652 | 10.1021/jm900110t | Mus musculus | 3 |
| 19459652 | 10.1021/jm900110t | Neuropeptide Y receptor type 5 | 2 |
| 19459652 | 10.1021/jm900110t | ADMET | 2 |
| 19616955 | 10.1016/j.bmc.2009.05.069 | Rattus norvegicus | 2 |
| 19616955 | 10.1016/j.bmc.2009.05.069 | Neuropeptide Y receptor type 5 | 1 |
| 19616955 | 10.1016/j.bmc.2009.05.069 | Plasma | 1 |
| 19459652 | 10.1021/jm900110t | Neuropeptide Y receptor type 4 | 1 |
| 19459652 | 10.1021/jm900110t | Neuropeptide Y receptor type 2 | 1 |
| 19459652 | 10.1021/jm900110t | Neuropeptide Y receptor type 1 | 1 |
| 19459652 | 10.1021/jm900110t | LLC-PK1 | 1 |
| 19459652 | 10.1021/jm900110t | Brain | 1 |
| 19459652 | 10.1021/jm900110t | Cerebrospinal fluid | 1 |
| 19459652 | 10.1021/jm900110t | Hepatocyte | 1 |
| 19459652 | 10.1021/jm900110t | No relevant target | 1 |
| 19459652 | 10.1021/jm900110t | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine