Compound Detail
CHEMBL327027
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Basic Information
| ChEMBL ID | CHEMBL327027 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FHHCKYIBYRNHOZ-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
220.3
MW (Da)
3.74
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.49
Ki 1 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 5 CHEMBL4561 | Ki | 7.47 | 7.47 | 34.0 | 1 |
| Sodium channel protein type 8 subunit alpha CHEMBL2752 | IC50 | 4.49 | 4.49 | 32200.0 | 1 |
| Sodium channel protein type 2 subunit alpha CHEMBL4187 | IC50 | 4.39 | 4.39 | 40600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide Y receptor type 5 | Ki | = | 34.0 | nM | 7.47 | Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY a... | 14505677 |
| Sodium channel protein type 8 subunit alpha | IC50 | = | 32200.0 | nM | 4.49 | Inhibition of rat NaV1.6-mediated current expressed in human HEK293 cells by pat... | 22981330 |
| Sodium channel protein type 2 subunit alpha | IC50 | = | 40600.0 | nM | 4.39 | Inhibition of human Nav1.2 channel expressed in HEK cells by patch-clamp electro... | 19394229 |
| Sodium channel protein type 2 subunit alpha | IC50 | = | 40600.0 | nM | 4.39 | Inhibition of human NaV1.2 expressed in HEK cells at -60 mV holding potential by... | 20943396 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20943396 | 10.1016/j.bmc.2010.09.029 | Mus musculus | 31 |
| - | 10.1007/s00044-011-9869-9 | Mus musculus | 28 |
| 20943396 | 10.1016/j.bmc.2010.09.029 | Rattus norvegicus | 6 |
| 19394229 | 10.1016/j.bmc.2009.03.067 | Sodium channel protein type 2 subunit alpha | 3 |
| 18818069 | 10.1016/j.bmcl.2008.09.036 | Sodium channel protein type 2 subunit alpha | 2 |
| 19394229 | 10.1016/j.bmc.2009.03.067 | No relevant target | 2 |
| 22981330 | 10.1016/j.bmcl.2012.08.067 | Sodium channel protein type 8 subunit alpha | 2 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 2 |
| 14505677 | 10.1016/s0960-894x(03)00747-9 | Neuropeptide Y receptor type 5 | 1 |
| 20943396 | 10.1016/j.bmc.2010.09.029 | Sodium channel protein type 2 subunit alpha | 1 |
| 22981330 | 10.1016/j.bmcl.2012.08.067 | Sodium channel protein type 2 subunit alpha | 1 |
| 26071857 | 10.1016/j.ejmech.2015.05.048 | Mycobacterium tuberculosis | 1 |
Data from ChEMBL 36 via Core Engine