Compound Detail
CHEMBL344127
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL344127 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LBVZWEWTNUDWNS-YRNVUSSQSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
377.5
MW (Da)
3.61
ALogP
3
HBA
2
HBD
57.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1B CHEMBL1898 | Ki | 9.7 | 9.7 | 0.2 | 1 |
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | Ki | 9.52 | 8.25 | 0.3 | 2 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 8.89 | 8.89 | 1.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1B | Ki | = | 0.2 | nM | 9.7 | Compound was tested for binding affinity against cloned human 5-hydroxytryptamin... | 8941384 |
| 5-hydroxytryptamine receptor 1D | Ki | = | 0.3 | nM | 9.52 | Compound was tested for binding affinity against cloned human 5-hydroxytryptamin... | 8941384 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 1.3 | nM | 8.89 | Compound was tested for binding affinity against cloned human 5-hydroxytryptamin... | 8941384 |
| 5-hydroxytryptamine receptor 1D | Ki | = | 104.0 | nM | 6.98 | Compound was tested for intrinsic efficacy against human 5-hydroxytryptamine 1D ... | 8941384 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8941384 | 10.1021/jm9604890 | Cavia porcellus | 10 |
| 8941384 | 10.1021/jm9604890 | 5-hydroxytryptamine receptor 1D | 4 |
| 8941384 | 10.1021/jm9604890 | 5-hydroxytryptamine receptor 1B | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 8941384 | 10.1021/jm9604890 | 5-hydroxytryptamine receptor 1A | 1 |
| 8941384 | 10.1021/jm9604890 | D(2) dopamine receptor | 1 |
| 8941384 | 10.1021/jm9604890 | No relevant target | 1 |
| 17417631 | 10.1038/nchembio873 | Unchecked | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine