Compound Detail
CHEMBL38465
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Basic Information
| ChEMBL ID | CHEMBL38465 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SDWUPSHVUBKGKN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
19
Publications
0
Known Names
Molecular Properties
255.3
MW (Da)
3.43
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor CHEMBL2094116 | Ki | 8.82 | 8.82 | 1.5 | 1 |
| 5-hydroxytryptamine receptor 3A CHEMBL1899 | Ki | 8.74 | 8.74 | 1.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor | Ki | = | 1.5 | nM | 8.82 | In vitro displacement of [3H]ICS-205-930 from 5-hydroxytryptamine 3 receptor in ... | 2296012 |
| 5-hydroxytryptamine receptor 3A | Ki | = | 1.8 | nM | 8.74 | Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of [3H]2... | 2213824 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2296012 | 10.1021/jm00163a003 | Rattus norvegicus | 4 |
| 2213824 | 10.1021/jm00172a006 | Serotonin 3 (5-HT3) receptor | 3 |
| 2213824 | 10.1021/jm00172a006 | Adenosine receptor A2b | 1 |
| 2231600 | 10.1021/jm00173a017 | Serotonin 3 receptor (5HT3) | 1 |
| 2296012 | 10.1021/jm00163a003 | Serotonin 3 (5-HT3) receptor | 1 |
| 2213824 | 10.1021/jm00172a006 | Mu-type opioid receptor | 1 |
| 2213824 | 10.1021/jm00172a006 | Sigma non-opioid intracellular receptor 1 | 1 |
| 2213824 | 10.1021/jm00172a006 | GABA-A receptor; anion channel | 1 |
| 2213824 | 10.1021/jm00172a006 | Muscarinic acetylcholine receptor M3 | 1 |
| 2213824 | 10.1021/jm00172a006 | Beta-2 adrenergic receptor | 1 |
| 2213824 | 10.1021/jm00172a006 | 5-hydroxytryptamine receptor 3A | 1 |
| 2213824 | 10.1021/jm00172a006 | Alpha-2A adrenergic receptor | 1 |
| 2213824 | 10.1021/jm00172a006 | 5-hydroxytryptamine receptor 2A | 1 |
| 2213824 | 10.1021/jm00172a006 | 5-hydroxytryptamine receptor 1D | 1 |
| 2213824 | 10.1021/jm00172a006 | 5-hydroxytryptamine receptor 2C | 1 |
| 2213824 | 10.1021/jm00172a006 | 5-hydroxytryptamine receptor 1B | 1 |
| 2213824 | 10.1021/jm00172a006 | 5-hydroxytryptamine receptor 1A | 1 |
| 2213824 | 10.1021/jm00172a006 | D(2) dopamine receptor | 1 |
| 2213824 | 10.1021/jm00172a006 | D(1A) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine