Compound Detail
CHEMBL28105
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Basic Information
| ChEMBL ID | CHEMBL28105 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IQSQLDXPUMAYBE-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
274.4
MW (Da)
2.62
ALogP
2
HBA
1
HBD
42.1
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.98 | 6.98 | 104.7 | 2 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 5.62 | 5.62 | 2421.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 104.71 | nM | 6.98 | Binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as ... | 8258822 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 104.71 | nM | 6.98 | Binding affinity of a compound to rat brain 5-hydroxytryptamine 1A (serotonin) r... | 8568799 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 2421.03 | nM | 5.62 | Binding affinity towards 5-hydroxytryptamine 2 receptor using [3H]-ketanserin as... | 8258822 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8258822 | 10.1021/jm00077a003 | 5-hydroxytryptamine receptor 1A | 1 |
| 8258822 | 10.1021/jm00077a003 | Serotonin 2 (5-HT2) receptor | 1 |
| 8568799 | 10.1021/jm950410b | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine