Compound Detail
CHEMBL192828
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Basic Information
| ChEMBL ID | CHEMBL192828 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YNKFXGPBJSWKHI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
383.4
MW (Da)
0.73
ALogP
7
HBA
0
HBD
78.9
PSA (Ų)
0.41
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.3 | 7.3 | 49.5 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 6.93 | 6.93 | 118.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 49.5 | nM | 7.3 | Inhibition of [3H]8-OH-DPAT binding to Serotonin 5-HT1A receptor from rat brain ... | 16107148 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 118.0 | nM | 6.93 | Inhibition of 0.4 nM [3H]ketanserin binding to Serotonin 5-HT2A receptor from ra... | 16107148 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16107148 | 10.1021/jm050246k | 5-hydroxytryptamine receptor 1A | 1 |
| 16107148 | 10.1021/jm050246k | 5-hydroxytryptamine receptor 2A | 1 |
| 16107148 | 10.1021/jm050246k | 5-hydroxytryptamine receptor 2C | 1 |
Data from ChEMBL 36 via Core Engine