Compound Detail
CHEMBL283257
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Basic Information
| ChEMBL ID | CHEMBL283257 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KGYMINZNPVBXCA-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
243.3
MW (Da)
2.45
ALogP
3
HBA
2
HBD
71.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.74
IC50 2 meas. best 8.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1B CHEMBL3459 | IC50 | 8.46 | 8.46 | 3.5 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.74 | 7.3733 | 18.2 | 3 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | IC50 | 7.44 | 7.44 | 36.0 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 6.79 | 6.79 | 164.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1B | IC50 | = | 3.5 | nM | 8.46 | Inhibitory activity against 5-hydroxytryptamine 1B receptor of rat cortex using ... | 2374139 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 18.2 | nM | 7.74 | Binding affinity of a compound to rat brain 5-hydroxytryptamine 1A (serotonin) r... | 8568799 |
| 5-hydroxytryptamine receptor 1A | IC50 | = | 36.0 | nM | 7.44 | Displacement of [3H]8-OH-DPAT from rat cortex 5-hydroxytryptamine 1A receptor | 2374139 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 64.57 | nM | 7.19 | Binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as ... | 8258822 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 64.57 | nM | 7.19 | Binding affinity of a compound to rat brain 5-hydroxytryptamine 1A (serotonin) r... | 8568799 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 164.06 | nM | 6.79 | Binding affinity towards 5-hydroxytryptamine 2 receptor using [3H]-ketanserin as... | 8258822 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8568799 | 10.1021/jm950410b | 5-hydroxytryptamine receptor 1A | 2 |
| 2374139 | 10.1021/jm00170a007 | 5-hydroxytryptamine receptor 1A | 1 |
| 2374139 | 10.1021/jm00170a007 | 5-hydroxytryptamine receptor 1B | 1 |
| 8258822 | 10.1021/jm00077a003 | 5-hydroxytryptamine receptor 1A | 1 |
| 8258822 | 10.1021/jm00077a003 | Serotonin 2 (5-HT2) receptor | 1 |
Data from ChEMBL 36 via Core Engine