Compound Detail
CHEMBL281937
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Basic Information
| ChEMBL ID | CHEMBL281937 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JCCNEBIRCTWQEL-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
302.4
MW (Da)
4.41
ALogP
2
HBA
0
HBD
8.2
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.0
IC50 1 meas. best 7.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 8.0 | 8.0 | 10.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | IC50 | 7.83 | 7.83 | 14.8 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 7.81 | 7.81 | 15.5 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 5.0 | 5.0 | 10000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 10.0 | nM | 8.0 | Binding affinity against cloned human 5-hydroxytryptamine 6 receptor expressed i... | 15603958 |
| 5-hydroxytryptamine receptor 6 | IC50 | = | 14.8 | nM | 7.83 | Inhibitory concentration against 5-HT stimulated cAMP production in HeLa cells s... | 15603958 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 15.49 | nM | 7.81 | Binding affinity towards 5-hydroxytryptamine 2 receptor using [3H]-ketanserin as... | 8258822 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 10000.0 | nM | 5.0 | Binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as ... | 8258822 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 10000.0 | nM | 5.0 | Binding affinity of a compound to rat brain 5-hydroxytryptamine 1A (serotonin) r... | 8568799 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15603958 | 10.1016/j.bmcl.2004.10.064 | 5-hydroxytryptamine receptor 6 | 3 |
| 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