Compound Detail
CHEMBL1082467
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Basic Information
| ChEMBL ID | CHEMBL1082467 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UZLABACTMPVNHT-DAFODLJHSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
399.4
MW (Da)
4.07
ALogP
3
HBA
1
HBD
77.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 9.19 | 9.19 | 0.7 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 7.39 | 7.39 | 41.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | Ki | 5.1 | 5.1 | 7919.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 0.65 | nM | 9.19 | Displacement of [3H]- ketanserin from human 5HT2A receptor expressed CHO cells | 20493697 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 41.0 | nM | 7.39 | Displacement of [3H]mesulergine from human 5HT2C receptor expressed CHO cells | 20493697 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | Ki | = | 7919.0 | nM | 5.1 | Displacement of [3H]-dofetilide from human ERG receptor expressed HEK cells | 20493697 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20493697 | 10.1016/j.bmcl.2010.04.090 | Rattus norvegicus | 3 |
| 20493697 | 10.1016/j.bmcl.2010.04.090 | 5-hydroxytryptamine receptor 2A | 1 |
| 20493697 | 10.1016/j.bmcl.2010.04.090 | Serotonin 2 receptors; 5-HT2a & 5-HT2c | 1 |
| 20493697 | 10.1016/j.bmcl.2010.04.090 | Liver microsomes | 1 |
| 20493697 | 10.1016/j.bmcl.2010.04.090 | 5-hydroxytryptamine receptor 2C | 1 |
| 20493697 | 10.1016/j.bmcl.2010.04.090 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 20493697 | 10.1016/j.bmcl.2010.04.090 | Brain | 1 |
Data from ChEMBL 36 via Core Engine