Compound Detail
CHEMBL1258562
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Basic Information
| ChEMBL ID | CHEMBL1258562 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BQFHVNLYBYLXMO-WEHONNDLSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
7
Publications
0
Known Names
Molecular Properties
442.5
MW (Da)
4.17
ALogP
8
HBA
1
HBD
85.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 5 CHEMBL4561 | Ki | 9.7 | 9.7 | 0.2 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Fu | 0.026 | - | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide Y receptor type 5 | Ki | = | 0.1995 | nM | 9.7 | Antagonist activity at human NPY Y5 receptor | 20813523 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20813523 | 10.1016/j.bmcl.2010.08.041 | Neuropeptide Y receptor type 5 | 1 |
| 20813523 | 10.1016/j.bmcl.2010.08.041 | Cytochrome P450 1A2 | 1 |
| 20813523 | 10.1016/j.bmcl.2010.08.041 | Cytochrome P450 2C19 | 1 |
| 20813523 | 10.1016/j.bmcl.2010.08.041 | Cytochrome P450 2C9 | 1 |
| 20813523 | 10.1016/j.bmcl.2010.08.041 | Cytochrome P450 2D6 | 1 |
| 20813523 | 10.1016/j.bmcl.2010.08.041 | Cytochrome P450 3A4 | 1 |
| 20813523 | 10.1016/j.bmcl.2010.08.041 | Brain | 1 |
Data from ChEMBL 36 via Core Engine