Compound Detail
CHEMBL48370
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Basic Information
| ChEMBL ID | CHEMBL48370 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NGAGLDAKVNKYJX-CTNGQTDRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
382.5
MW (Da)
2.25
ALogP
6
HBA
1
HBD
54.4
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.76 | 7.76 | 17.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 17.38 | nM | 7.76 | Binding affinity at human 5-hydroxytryptamine 1A receptor by inhibition of [3H]8... | 11754589 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11754589 | 10.1021/jm010975+ | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine