Compound Detail
CHEMBL91806
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 | CHEMBL91806 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMDFESOYJXRUSW-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
351.4
MW (Da)
2.65
ALogP
6
HBA
0
HBD
46.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.82 | 7.82 | 15.0 | 2 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 5.98 | 5.98 | 1040.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 15.0 | nM | 7.82 | Tested in vitro for receptor binding affinity against 5-hydroxytryptamine 1A rec... | 8064802 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 15.0 | nM | 7.82 | Ability to displace [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor | 10585205 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 1040.0 | nM | 5.98 | Tested in vitro for receptor binding affinity against 5-hydroxytryptamine 2 rece... | 8064802 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8064802 | 10.1021/jm00043a014 | Mus musculus | 36 |
| 10585205 | 10.1021/jm991045h | Rattus norvegicus | 21 |
| 8064802 | 10.1021/jm00043a014 | Rattus norvegicus | 16 |
| 8064802 | 10.1021/jm00043a014 | 5-hydroxytryptamine receptor 1A | 1 |
| 8064802 | 10.1021/jm00043a014 | Serotonin 2 (5-HT2) receptor | 1 |
| 8064802 | 10.1021/jm00043a014 | Unchecked | 1 |
| 10585205 | 10.1021/jm991045h | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine