Compound Detail
CHEMBL439773
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 | CHEMBL439773 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DAGLCFOMYRIMJJ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
246.3
MW (Da)
2.95
ALogP
3
HBA
1
HBD
40.2
PSA (Ų)
0.88
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.92 | 6.535 | 12.0 | 2 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 6.2 | 6.2 | 635.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 12.0 | nM | 7.92 | Binding affinity against 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as... | 2213830 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 635.0 | nM | 6.2 | Binding affinity against 5-hydroxytryptamine 2 receptor using [3H]ketanserin as ... | 2213830 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 7100.0 | nM | 5.15 | Binding affinity against 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as... | 2213830 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2213830 | 10.1021/jm00172a016 | 5-hydroxytryptamine receptor 1A | 2 |
| 2213830 | 10.1021/jm00172a016 | Serotonin 2 (5-HT2) receptor | 1 |
Data from ChEMBL 36 via Core Engine