Compound Detail
CHEMBL595790
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Basic Information
| ChEMBL ID | CHEMBL595790 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SAGXMOCELWITKF-CAJLXGCNSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
7
Publications
0
Known Names
Molecular Properties
406.4
MW (Da)
3.60
ALogP
6
HBA
1
HBD
86.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 5 CHEMBL4561 | IC50 | 9.04 | 9.04 | 0.9 | 1 |
| Neuropeptide Y receptor type 5 CHEMBL2548 | IC50 | 8.68 | 8.68 | 2.1 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 7.0 | mL.min-1.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide Y receptor type 5 | IC50 | = | 0.92 | nM | 9.04 | Displacement of [125I]PYY from human recombinant Y5 receptor | 19720539 |
| Neuropeptide Y receptor type 5 | IC50 | = | 2.1 | nM | 8.68 | Inhibition of rat Y5 receptor | 19720539 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19720539 | 10.1016/j.bmc.2009.08.019 | Neuropeptide Y receptor type 5 | 2 |
| 19720539 | 10.1016/j.bmc.2009.08.019 | Rattus norvegicus | 2 |
| 19720539 | 10.1016/j.bmc.2009.08.019 | LLC-PK1 | 2 |
| 19720539 | 10.1016/j.bmc.2009.08.019 | Hepatocyte | 1 |
| 19720539 | 10.1016/j.bmc.2009.08.019 | No relevant target | 1 |
| 19720539 | 10.1016/j.bmc.2009.08.019 | Brain | 1 |
| 19720539 | 10.1016/j.bmc.2009.08.019 | Cerebrospinal fluid | 1 |
Data from ChEMBL 36 via Core Engine