Compound Detail
CHEMBL139438
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Basic Information
| ChEMBL ID | CHEMBL139438 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NGGLCOOMLYDRSU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
314.4
MW (Da)
5.02
ALogP
2
HBA
0
HBD
8.2
PSA (Ų)
0.51
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | Ki | 7.24 | 7.24 | 57.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D | Ki | = | 57.0 | nM | 7.24 | Displacement of [3H]5-HT from human 5-hydroxytryptamine 1D receptor expressed in... | 14643336 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14643336 | 10.1016/j.bmcl.2003.09.025 | 5-hydroxytryptamine receptor 1D | 3 |
Data from ChEMBL 36 via Core Engine