Compound Detail
CHEMBL180557
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Basic Information
| ChEMBL ID | CHEMBL180557 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JESLIPCZKNHJMZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
417.5
MW (Da)
3.90
ALogP
5
HBA
1
HBD
63.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 8.9 | 8.9 | 1.3 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 8.2 | 8.2 | 6.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 1.259 | nM | 8.9 | Mean negative logarithim of binding affinity was measured for the human 5-hydrox... | 15664848 |
| Sodium-dependent serotonin transporter | Ki | = | 6.31 | nM | 8.2 | Mean negative logarithim of binding affinity was measured for the rat serotonin ... | 15664848 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15664848 | 10.1016/j.bmcl.2004.11.030 | 5-hydroxytryptamine receptor 1A | 2 |
| 15664848 | 10.1016/j.bmcl.2004.11.030 | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine