Compound Detail
CHEMBL26587
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Basic Information
| ChEMBL ID | CHEMBL26587 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PPTMLGGLVHEJJN-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
413.5
MW (Da)
4.04
ALogP
4
HBA
0
HBD
43.9
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 9.0 | 9.0 | 1.0 | 3 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 7.66 | 7.66 | 22.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 1.0 | nM | 9.0 | Evaluated for binding affinity towards 5-hydroxytryptamine 1A receptor in rat br... | 3172131 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 1.0 | nM | 9.0 | Binding affinity towards 5-hydroxytryptamine 1A receptor of rat hippocampus usin... | 1652026 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 1.0 | nM | 9.0 | Binding affinity of a compound to rat brain 5-hydroxytryptamine 1A (serotonin) r... | 8568799 |
| Adrenergic receptor alpha-1 | Ki | = | 22.0 | nM | 7.66 | Binding affinity towards alpha-1 adrenergic receptor of rat frontal cortex using... | 1652026 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3172131 | 10.1021/jm00118a018 | 5-hydroxytryptamine receptor 1A | 2 |
| 1652026 | 10.1021/jm00112a043 | 5-hydroxytryptamine receptor 1A | 1 |
| 1652026 | 10.1021/jm00112a043 | Adrenergic receptor alpha-1 | 1 |
| 1652026 | 10.1021/jm00112a043 | Serotonin 1a (5-HT1a) receptor/Adrenergic receptor alpha-1 | 1 |
| 8568799 | 10.1021/jm950410b | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine