Compound Detail
CHEMBL244577
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Basic Information
| ChEMBL ID | CHEMBL244577 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GJXLROXNFUKMEK-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
423.6
MW (Da)
4.70
ALogP
3
HBA
1
HBD
35.6
PSA (Ų)
0.63
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.54 | 7.54 | 29.2 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3223 | Ki | 6.88 | 6.88 | 131.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 6.71 | 6.71 | 194.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.54 | 6.54 | 292.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 29.2 | nM | 7.54 | Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in... | 17649988 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 131.0 | nM | 6.88 | Displacement of [3H]LSD from rat recombinant 5HT7 receptor expressed in HEK293 c... | 17649988 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 194.0 | nM | 6.71 | Displacement of [3H]ketanserin from 5HT2A receptor in Sprague-Dawley cortex memb... | 17649988 |
| D(2) dopamine receptor | Ki | = | 292.0 | nM | 6.54 | Displacement of [3H]spiroperidol from human recombinant Dopamine D2 long recepto... | 17649988 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17649988 | 10.1021/jm070487n | 5-hydroxytryptamine receptor 7 | 1 |
| 17649988 | 10.1021/jm070487n | 5-hydroxytryptamine receptor 1A | 1 |
| 17649988 | 10.1021/jm070487n | 5-hydroxytryptamine receptor 2A | 1 |
| 17649988 | 10.1021/jm070487n | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine