Compound Detail
CHEMBL268587
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Basic Information
| ChEMBL ID | CHEMBL268587 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KEKIDFAUAVEEKV-QRPNPIFTSA-N |
| Parent Compound | CHEMBL1182828 |
| Active Moiety | CHEMBL1182828 |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
219.3
MW (Da)
1.45
ALogP
3
HBA
1
HBD
44.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.92
EC50 1 meas. best 5.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL324 | Ki | 6.92 | 6.92 | 119.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 6.64 | 6.64 | 227.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | EC50 | 5.63 | 5.63 | 2360.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | Ki | = | 119.0 | nM | 6.92 | Binding affinity at cloned rat 5-hydroxytryptamine 2C receptor using [3H]DOI as ... | 11300881 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 227.0 | nM | 6.64 | Binding affinity at cloned rat 5-hydroxytryptamine 2A receptor using [3H]DOB as ... | 11300881 |
| 5-hydroxytryptamine receptor 2A | EC50 | = | 2360.0 | nM | 5.63 | 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