Compound Detail
CHEMBL48100
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Basic Information
| ChEMBL ID | CHEMBL48100 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KNTNKMFODKUWSB-CVEARBPZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
413.5
MW (Da)
1.08
ALogP
7
HBA
0
HBD
86.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL3737 | Ki | 7.36 | 7.36 | 43.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 43.7 | nM | 7.36 | Compound was tested for binding affinity to 5-hydroxytryptamine 1A receptor usin... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80460-6 | Mus musculus | 2 |
| - | 10.1016/S0960-894X(00)80460-6 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine