Compound Detail
CHEMBL136666
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 | CHEMBL136666 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DQEBWDLUDOIBCJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
328.4
MW (Da)
1.83
ALogP
5
HBA
1
HBD
61.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor CHEMBL2094116 | IC50 | 6.04 | 6.04 | 920.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor | IC50 | = | 920.0 | nM | 6.04 | Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor from rat cortica... | 10543880 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10543880 | 10.1021/jm990151g | Serotonin 3 (5-HT3) receptor | 1 |
| 19425598 | 10.1021/jm900018b | ADMET | 1 |
Data from ChEMBL 36 via Core Engine