Compound Detail
CHEMBL2159167
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Basic Information
| ChEMBL ID | CHEMBL2159167 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PHIHUSKNIVVTLO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
425.4
MW (Da)
3.48
ALogP
5
HBA
1
HBD
75.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 5 CHEMBL3802 | IC50 | 9.68 | 9.68 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide Y receptor type 5 | IC50 | = | 0.21 | nM | 9.68 | Displacement of [125I]PYY from mouse NPY Y5 receptor | 23025998 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23025998 | 10.1016/j.bmcl.2012.09.025 | Liver microsomes | 2 |
| 23025998 | 10.1016/j.bmcl.2012.09.025 | Neuropeptide Y receptor type 5 | 1 |
| 23025998 | 10.1016/j.bmcl.2012.09.025 | Cytochrome P450 1A2 | 1 |
| 23025998 | 10.1016/j.bmcl.2012.09.025 | Cytochrome P450 2C19 | 1 |
| 23025998 | 10.1016/j.bmcl.2012.09.025 | Cytochrome P450 2C9 | 1 |
| 23025998 | 10.1016/j.bmcl.2012.09.025 | Cytochrome P450 2D6 | 1 |
| 23025998 | 10.1016/j.bmcl.2012.09.025 | Cytochrome P450 3A4 | 1 |
| 23025998 | 10.1016/j.bmcl.2012.09.025 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine