Compound Detail
CHEMBL26379
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 | CHEMBL26379 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VADZOZAUGGYKFE-UHFFFAOYSA-N |
3
Targets
5
Activities
3
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
223.3
MW (Da)
2.42
ALogP
2
HBA
2
HBD
51.6
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.1
EC50 1 meas. best 6.89
Ki 1 meas. best 7.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1B CHEMBL3459 | IC50 | 9.1 | 9.1 | 0.8 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.79 | 7.79 | 16.2 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | IC50 | 7.5 | 7.5 | 32.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | EC50 | 6.89 | 6.89 | 130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1B | IC50 | = | 0.8 | nM | 9.1 | Inhibitory activity against 5-hydroxytryptamine 1B receptor of rat cortex using ... | 2374139 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 16.22 | nM | 7.79 | Binding affinity of a compound to rat brain 5-hydroxytryptamine 1A (serotonin) r... | 8568799 |
| 5-hydroxytryptamine receptor 6 | IC50 | = | 20.0 | nM | 7.7 | Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK cell membranes... | 23542166 |
| 5-hydroxytryptamine receptor 1A | IC50 | = | 32.0 | nM | 7.5 | Displacement of [3H]8-OH-DPAT from rat cortex 5-hydroxytryptamine 1A receptor | 2374139 |
| 5-hydroxytryptamine receptor 6 | EC50 | = | 130.0 | nM | 6.89 | Partial agonist activity at human 5HT6 receptor expressed in BHK cells assessed ... | 23542166 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23542166 | 10.1016/j.ejmech.2013.03.006 | 5-hydroxytryptamine receptor 6 | 3 |
| 2374139 | 10.1021/jm00170a007 | 5-hydroxytryptamine receptor 1A | 1 |
| 2374139 | 10.1021/jm00170a007 | 5-hydroxytryptamine receptor 1B | 1 |
| 8568799 | 10.1021/jm950410b | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine