Compound Detail
CHEMBL292066
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Basic Information
| ChEMBL ID | CHEMBL292066 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NZXGDKLTTHIYTB-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
202.3
MW (Da)
0.97
ALogP
3
HBA
2
HBD
44.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 3A CHEMBL1899 | Ki | 7.72 | 7.72 | 19.2 | 1 |
| Serotonin 3 (5-HT3) receptor CHEMBL2094116 | Ki | 7.5 | 7.5 | 31.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 3A | Ki | = | 19.21 | nM | 7.72 | Binding affinity against human 5-hydroxytryptamine 3A receptor | 11514154 |
| Serotonin 3 (5-HT3) receptor | Ki | = | 31.62 | nM | 7.5 | In vitro by displacement of [3H]LY-278584 from 5-hydroxytryptamine 3 receptor on... | 9046349 |
| Serotonin 3 (5-HT3) receptor | Ki | = | 31.62 | nM | 7.5 | Rat 5-hydroxytryptamine 3 receptor (5-HT3) antagonist | 9622544 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11514154 | 10.1016/s0960-894x(01)00417-6 | Unchecked | 3 |
| - | 10.6019/CHEMBL3988442 | Unchecked | 3 |
| - | 10.6019/CHEMBL4513160 | Pseudomonas aeruginosa | 2 |
| 9046349 | 10.1021/jm960442e | Serotonin 3 (5-HT3) receptor | 1 |
| 9046349 | 10.1021/jm960442e | Rattus norvegicus | 1 |
| 9622544 | 10.1021/jm970745o | Serotonin 3 (5-HT3) receptor | 1 |
| 11514154 | 10.1016/s0960-894x(01)00417-6 | 5-hydroxytryptamine receptor 3A | 1 |
| - | 10.6019/CHEMBL4513160 | Acinetobacter baumannii | 1 |
Data from ChEMBL 36 via Core Engine