Compound Detail
CHEMBL541993
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Basic Information
| ChEMBL ID | CHEMBL541993 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JDPGHZDOBUGUDU-LURJTMIESA-N |
8
Targets
8
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
259.7
MW (Da)
2.85
ALogP
3
HBA
2
HBD
36.4
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 8 meas. best 8.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 5A CHEMBL4655 | Ki | 8.54 | 8.54 | 2.9 | 1 |
| 5-hydroxytryptamine receptor 5A CHEMBL3426 | Ki | 8.17 | 8.17 | 6.8 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 7.61 | 7.61 | 24.8 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.25 | 7.25 | 56.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 6.45 | 6.45 | 351.7 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.31 | 6.31 | 491.0 | 1 |
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | Ki | 5.84 | 5.84 | 1437.4 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 5.35 | 5.35 | 4476.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 5A | Ki | = | 2.9 | nM | 8.54 | Binding affinity to rat 5HT5A receptor | 18023344 |
| 5-hydroxytryptamine receptor 5A | Ki | = | 6.8 | nM | 8.17 | Binding affinity to human 5HT5A receptor | 18023344 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 24.8 | nM | 7.61 | Binding affinity to human 5HT7 receptor | 18023344 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 56.0 | nM | 7.25 | Binding affinity to human 5HT1A receptor | 18023344 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 351.7 | nM | 6.45 | Binding affinity to human 5HT2C receptor | 18023344 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 491.0 | nM | 6.31 | Binding affinity to human 5HT2A receptor | 18023344 |
| 5-hydroxytryptamine receptor 1D | Ki | = | 1437.4 | nM | 5.84 | Binding affinity to human 5HT1D receptor | 18023344 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 4476.2 | nM | 5.35 | Binding affinity to human 5HT6 receptor | 18023344 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18023344 | 10.1016/j.bmcl.2007.10.078 | Unchecked | 6 |
| 18023344 | 10.1016/j.bmcl.2007.10.078 | 5-hydroxytryptamine receptor 5A | 2 |
| 18023344 | 10.1016/j.bmcl.2007.10.078 | 5-hydroxytryptamine receptor 7 | 1 |
| 18023344 | 10.1016/j.bmcl.2007.10.078 | 5-hydroxytryptamine receptor 1A | 1 |
| 18023344 | 10.1016/j.bmcl.2007.10.078 | 5-hydroxytryptamine receptor 1D | 1 |
| 18023344 | 10.1016/j.bmcl.2007.10.078 | 5-hydroxytryptamine receptor 2A | 1 |
| 18023344 | 10.1016/j.bmcl.2007.10.078 | 5-hydroxytryptamine receptor 2C | 1 |
| 18023344 | 10.1016/j.bmcl.2007.10.078 | 5-hydroxytryptamine receptor 3A | 1 |
| 18023344 | 10.1016/j.bmcl.2007.10.078 | 5-hydroxytryptamine receptor 6 | 1 |
Data from ChEMBL 36 via Core Engine