Compound Detail
CHEMBL136311
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Basic Information
| ChEMBL ID | CHEMBL136311 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GUMBNOITRNRLCS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
151.2
MW (Da)
1.28
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | Ki | 5.75 | 5.75 | 1800.0 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL1898 | Ki | 5.22 | 5.22 | 5960.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D | Ki | = | 1800.0 | nM | 5.75 | Compound was tested for its agonist activity against human recombinant 5-hydroxy... | 9435911 |
| 5-hydroxytryptamine receptor 1B | Ki | = | 5960.0 | nM | 5.22 | Agonist activity to the human recombinant 5-hydroxytryptamine 1B receptor | 9435911 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9435911 | 10.1021/jm970507t | 5-hydroxytryptamine receptor 1B | 1 |
| 9435911 | 10.1021/jm970507t | 5-hydroxytryptamine receptor 1D | 1 |
Data from ChEMBL 36 via Core Engine