Compound Detail
CHEMBL37317
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 | CHEMBL37317 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MQYFTEBJWOVBLK-UHFFFAOYSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
257.3
MW (Da)
1.23
ALogP
5
HBA
3
HBD
106.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.7
EC50 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D CHEMBL4105 | IC50 | 7.7 | 7.7 | 19.9 | 1 |
| Oryctolagus cuniculus CHEMBL374 | EC50 | 6.8 | 6.8 | 158.5 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | IC50 | 6.5 | 6.5 | 316.2 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | IC50 | 6.1 | 6.1 | 794.3 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | IC50 | 5.5 | 5.5 | 3162.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D | IC50 | = | 19.95 | nM | 7.7 | Displacement of radioligand [3H]5-HT binding to 5-hydroxytryptamine 1D receptor ... | 8496922 |
| Oryctolagus cuniculus | EC50 | = | 158.49 | nM | 6.8 | Serotonergic activity was assessed in vitro on the New Zealand white rabbit saph... | 8496922 |
| 5-hydroxytryptamine receptor 1A | IC50 | = | 316.23 | nM | 6.5 | Displacement of [3H]8-OH-DPAT from pig cortex 5-hydroxytryptamine 1A receptor | 8496922 |
| Serotonin 2 (5-HT2) receptor | IC50 | = | 794.33 | nM | 6.1 | isplacement of [3H]DOB from rat cortex homogenate 5-hydroxytryptamine 2 receptor | 8496922 |
| 5-hydroxytryptamine receptor 2C | IC50 | = | 3162.28 | nM | 5.5 | Displacement of [3H]mesulergine from pig cortex 5-hydroxytryptamine 1C receptor | 8496922 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8496922 | 10.1021/jm00063a003 | Oryctolagus cuniculus | 2 |
| 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