Compound Detail
CHEMBL414420
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Basic Information
| ChEMBL ID | CHEMBL414420 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TYGFQVPXFAQMRF-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
300.5
MW (Da)
5.35
ALogP
1
HBA
2
HBD
41.8
PSA (Ų)
0.54
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | Ki | 6.68 | 6.68 | 210.0 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL1898 | Ki | 6.56 | 6.56 | 275.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 5.64 | 5.64 | 2300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D | Ki | = | 210.0 | nM | 6.68 | In vitro affinity human cloned 5-hydroxytryptamine 1D receptor alpha by [3H]5-HT... | 8568822 |
| 5-hydroxytryptamine receptor 1B | Ki | = | 275.0 | nM | 6.56 | Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor beta | 8568822 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 2300.0 | nM | 5.64 | In vitro affinity at human cloned 5-hydroxytryptamine 1A receptor by [3H]8-OH-DP... | 8568822 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8568822 | 10.1021/jm950498t | 5-hydroxytryptamine receptor 1A | 1 |
| 8568822 | 10.1021/jm950498t | 5-hydroxytryptamine receptor 1B | 1 |
| 8568822 | 10.1021/jm950498t | 5-hydroxytryptamine receptor 1D | 1 |
Data from ChEMBL 36 via Core Engine