Compound Detail
CHEMBL416519
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Basic Information
| ChEMBL ID | CHEMBL416519 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PPFLJANGUQOHFJ-GGYWPGCISA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
307.4
MW (Da)
4.04
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.5 | 6.5 | 317.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.41 | 6.41 | 392.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 317.0 | nM | 6.5 | Compound was evaluated for the binding affinity against [3H]8-OH-DPAT-labeled 5-... | 8097537 |
| D(2) dopamine receptor | Ki | = | 392.0 | nM | 6.41 | Compound was evaluated for the binding affinity against [3H]U-86,170-labeled dop... | 8097537 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8097537 | 10.1021/jm00060a014 | 5-hydroxytryptamine receptor 1A | 1 |
| 8097537 | 10.1021/jm00060a014 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine