Compound Detail
CHEMBL27555
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 | CHEMBL27555 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PMCPOKMLGYWWCE-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
275.4
MW (Da)
1.72
ALogP
3
HBA
1
HBD
35.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.6 | 6.6 | 250.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 250.0 | nM | 6.6 | Evaluated for binding affinity towards 5-hydroxytryptamine 1A receptor in rat br... | 3172131 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 251.19 | nM | 6.6 | Binding affinity of a compound to rat brain 5-hydroxytryptamine 1A (serotonin) r... | 8568799 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3172131 | 10.1021/jm00118a018 | 5-hydroxytryptamine receptor 1A | 2 |
| 8568799 | 10.1021/jm950410b | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine