Compound Detail
CHEMBL142629
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Basic Information
| ChEMBL ID | CHEMBL142629 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DLKZNHHXBDWTOP-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
232.3
MW (Da)
2.76
ALogP
2
HBA
2
HBD
39.3
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | IC50 | 7.11 | 7.11 | 77.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D | IC50 | = | 77.0 | nM | 7.11 | Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor alpha expre... | 8941384 |
| 5-hydroxytryptamine receptor 1D | IC50 | = | 77.0 | nM | 7.11 | Compound was tested for binding affinity against cloned human 5-hydroxytryptamin... | 8941384 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8941384 | 10.1021/jm9604890 | 5-hydroxytryptamine receptor 1D | 2 |
| 8941384 | 10.1021/jm9604890 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine