Compound Detail
CHEMBL8225
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Basic Information
| ChEMBL ID | CHEMBL8225 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ITZLAXJQDMGDEO-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
239.3
MW (Da)
1.99
ALogP
4
HBA
1
HBD
53.7
PSA (Ų)
0.82
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.66
Kd 1 meas. best 6.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin (5-HT) receptor CHEMBL2094123 | Kd | 6.78 | 6.78 | 166.0 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 5.66 | 5.66 | 2200.0 | 2 |
| 5-hydroxytryptamine receptor 2C CHEMBL324 | Ki | 5.64 | 5.64 | 2300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin (5-HT) receptor | Kd | = | 165.96 | nM | 6.78 | Binding affinity at rat 5-hydroxytryptamine receptor. | 7143352 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 2200.0 | nM | 5.66 | Binding affinity against 5-hydroxytryptamine 2 receptor of rat frontal cortex us... | 2308135 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 2200.0 | nM | 5.66 | Binding affinity towards 5-hydroxytryptamine 2 receptor from frontal cortical re... | 1542100 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 2300.0 | nM | 5.64 | Binding affinity towards 5-hydroxytryptamine 1C receptor from frontal cortical r... | 1542100 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7143352 | 10.1021/jm00352a013 | Rattus norvegicus | 10 |
| 1542100 | 10.1021/jm00082a014 | Serotonin 2 (5-HT2) receptor | 2 |
| 2299636 | 10.1021/jm00164a036 | Homo sapiens | 2 |
| 7143352 | 10.1021/jm00352a013 | Serotonin (5-HT) receptor | 1 |
| 7143352 | 10.1021/jm00352a013 | Homo sapiens | 1 |
| 2308135 | 10.1021/jm00165a023 | Serotonin 2 (5-HT2) receptor | 1 |
| 1542100 | 10.1021/jm00082a014 | 5-hydroxytryptamine receptor 2C | 1 |
| 2299636 | 10.1021/jm00164a036 | Rattus norvegicus | 1 |
| 9748359 | 10.1021/jm980144c | Homo sapiens | 1 |
| 592329 | 10.1021/jm00222a019 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine