Compound Detail
CHEMBL339845
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Basic Information
| ChEMBL ID | CHEMBL339845 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTGAQVLGLOZGLW-LBPRGKRZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
397.4
MW (Da)
4.03
ALogP
4
HBA
0
HBD
46.6
PSA (Ų)
0.40
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.31 | 6.31 | 490.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 490.0 | nM | 6.31 | Binding affinity against rat hippocampal 5-hydroxytryptamine 1A (5-HT1A) recepto... | 8831769 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8831769 | 10.1021/jm960329o | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine