Compound Detail
CHEMBL81022
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Basic Information
| ChEMBL ID | CHEMBL81022 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WGMZLURHTWILIL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
390.4
MW (Da)
4.35
ALogP
3
HBA
0
HBD
11.4
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 10.0 | nM | 8.0 | Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells us... | 12161155 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12161155 | 10.1016/s0960-894x(02)00438-9 | 5-hydroxytryptamine receptor 7 | 2 |
Data from ChEMBL 36 via Core Engine