Compound Detail
CHEMBL39296
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 | CHEMBL39296 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PBIQSWDDDJWZKX-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
284.4
MW (Da)
2.55
ALogP
4
HBA
1
HBD
58.0
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D CHEMBL4105 | IC50 | 7.3 | 7.3 | 50.1 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | IC50 | 6.3 | 6.3 | 501.2 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | IC50 | 5.6 | 5.6 | 2511.9 | 1 |
| Serotonin 3 (5-HT3) receptor CHEMBL2094116 | IC50 | 5.4 | 5.4 | 3981.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D | IC50 | = | 50.12 | nM | 7.3 | Displacement of radioligand [3H]5-HT binding to 5-hydroxytryptamine 1D receptor ... | 8496922 |
| 5-hydroxytryptamine receptor 1A | IC50 | = | 501.19 | nM | 6.3 | Displacement of [3H]8-OH-DPAT from pig cortex 5-hydroxytryptamine 1A receptor | 8496922 |
| 5-hydroxytryptamine receptor 2C | IC50 | = | 1000.0 | nM | 6.0 | Displacement of [3H]mesulergine from pig cortex 5-hydroxytryptamine 1C receptor | 8496922 |
| Serotonin 2 (5-HT2) receptor | IC50 | = | 2511.89 | nM | 5.6 | isplacement of [3H]DOB from rat cortex homogenate 5-hydroxytryptamine 2 receptor | 8496922 |
| Serotonin 3 (5-HT3) receptor | IC50 | = | 3981.07 | nM | 5.4 | Displacement of [3H]-Q-ICS 205-930 from rat cortex homogenate 5-hydroxytryptamin... | 8496922 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8496922 | 10.1021/jm00063a003 | 5-hydroxytryptamine receptor 1D | 1 |
| 8496922 | 10.1021/jm00063a003 | No relevant target | 1 |
| 8496922 | 10.1021/jm00063a003 | 5-hydroxytryptamine receptor 1A | 1 |
| 8496922 | 10.1021/jm00063a003 | 5-hydroxytryptamine receptor 2C | 1 |
| 8496922 | 10.1021/jm00063a003 | Serotonin 2 (5-HT2) receptor | 1 |
| 8496922 | 10.1021/jm00063a003 | Serotonin 3 (5-HT3) receptor | 1 |
Data from ChEMBL 36 via Core Engine