Compound Detail
CHEMBL345110
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Basic Information
| ChEMBL ID | CHEMBL345110 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZPTVJYYCMQYZRD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
3
PK Parameters
2
Publications
0
Known Names
Molecular Properties
416.3
MW (Da)
3.21
ALogP
5
HBA
2
HBD
70.7
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 9.2 | 9.2 | 0.6 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 450.0 | uM min uM-1 | Rattus norvegicus |
| CL | 4.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 51.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 0.631 | nM | 9.2 | Binding affinity against human 5-hydroxytryptamine 6 receptor | 11140733 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11140733 | 10.1016/s0960-894x(00)00597-7 | Rattus norvegicus | 4 |
| 11140733 | 10.1016/s0960-894x(00)00597-7 | 5-hydroxytryptamine receptor 6 | 1 |
Data from ChEMBL 36 via Core Engine