Compound Detail
CHEMBL6838
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Basic Information
| ChEMBL ID | CHEMBL6838 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NEXBRZPFGXOCSI-QRPNPIFTSA-N |
| Parent Compound | CHEMBL1177920 |
| Active Moiety | CHEMBL1177920 |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
215.2
MW (Da)
3.07
ALogP
3
HBA
1
HBD
52.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.22
EC50 1 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL324 | Ki | 8.22 | 8.22 | 6.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 7.42 | 7.42 | 37.9 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | EC50 | 6.19 | 6.19 | 650.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | Ki | = | 6.0 | nM | 8.22 | Binding affinity at cloned rat 5-hydroxytryptamine 2C receptor using [3H]DOI as ... | 11300881 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 37.9 | nM | 7.42 | Binding affinity at cloned rat 5-hydroxytryptamine 2A receptor using [3H]DOB as ... | 11300881 |
| 5-hydroxytryptamine receptor 2A | EC50 | = | 650.0 | nM | 6.19 | Ability to stimulate phosphoinositide hydrolysis in NIH3T3 cells expressing the ... | 11300881 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11300881 | 10.1021/jm000491y | 5-hydroxytryptamine receptor 2A | 3 |
| 11300881 | 10.1021/jm000491y | 5-hydroxytryptamine receptor 2C | 1 |
Data from ChEMBL 36 via Core Engine