Compound Detail
CHEMBL181202
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Basic Information
| ChEMBL ID | CHEMBL181202 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ONKRAVFZJYGKKQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
522.7
MW (Da)
2.04
ALogP
7
HBA
1
HBD
91.4
PSA (Ų)
0.50
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 10.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 CHEMBL1875 | Ki | 10.6 | 10.6 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 | Ki | = | 0.02512 | nM | 10.6 | Inhibitory constant for human cloned 5-HT4 receptor | 15745824 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15745824 | 10.1016/j.bmcl.2005.01.039 | ADMET | 2 |
| 15745824 | 10.1016/j.bmcl.2005.01.039 | 5-hydroxytryptamine receptor 4 | 1 |
Data from ChEMBL 36 via Core Engine