Compound Detail
CHEMBL186813
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Basic Information
| ChEMBL ID | CHEMBL186813 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MBBKTIHMGYGAHF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
329.4
MW (Da)
2.82
ALogP
5
HBA
0
HBD
56.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 5.1 | 5.1 | 7943.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 7943.28 | nM | 5.1 | Antagonism of 2-methyl-5-HT effect on 5-hydroxytryptamine 3 receptor in isolated... | 15380223 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15380223 | 10.1016/j.bmcl.2004.07.060 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine