Compound Detail
CHEMBL164425
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Basic Information
| ChEMBL ID | CHEMBL164425 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IYGMGKYKMGATRC-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
297.8
MW (Da)
1.75
ALogP
4
HBA
2
HBD
67.6
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor CHEMBL2094116 | Ki | 6.57 | 6.57 | 267.0 | 2 |
| 5-hydroxytryptamine receptor 4 CHEMBL4317 | Ki | 6.08 | 6.08 | 832.0 | 1 |
| 5-hydroxytryptamine receptor 4 CHEMBL5017 | Ki | 6.08 | 6.08 | 832.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor | Ki | = | 267.0 | nM | 6.57 | Binding affinity against 5-hydroxytryptamine 3 receptor using [3H]BRL-43694 as r... | - |
| Serotonin 3 (5-HT3) receptor | Ki | = | 267.0 | nM | 6.57 | Inhibition of [3H]GR-65630 binding to rat cortical membrane serotonin 5-hydroxyt... | 12593651 |
| 5-hydroxytryptamine receptor 4 | Ki | = | 832.0 | nM | 6.08 | Binding affinity against 5-hydroxytryptamine 4 receptor using [3H]GR-113808 as r... | - |
| 5-hydroxytryptamine receptor 4 | Ki | = | 832.0 | nM | 6.08 | Inhibition of [3H]GR-113808 binding to guinea pig striatum 5-hydroxytryptamine 4... | 12593651 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00115-A | Serotonin 3 (5-HT3) receptor | 1 |
| - | 10.1016/0960-894X(95)00115-A | 5-hydroxytryptamine receptor 4 | 1 |
| - | 10.1016/0960-894X(95)00115-A | D(2) dopamine receptor | 1 |
| 12593651 | 10.1021/jm020270n | Serotonin 3 (5-HT3) receptor | 1 |
| 12593651 | 10.1021/jm020270n | 5-hydroxytryptamine receptor 4 | 1 |
| 12593651 | 10.1021/jm020270n | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine