Compound Detail
CHEMBL44236
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Basic Information
| ChEMBL ID | CHEMBL44236 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UNZKIANEZWFDER-UHFFFAOYSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
203.2
MW (Da)
2.01
ALogP
1
HBA
3
HBD
61.9
PSA (Ų)
0.48
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 5.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor CHEMBL2094132 | Ki | 5.61 | 5.425 | 2440.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor | Ki | = | 2440.0 | nM | 5.61 | Binding affinity to 5-HT3 serotonin receptor in NG 108-15 neuroblastoma glioma c... | 11412989 |
| Serotonin 3 (5-HT3) receptor | Ki | = | 5700.0 | nM | 5.24 | Compound was tested for the inhibition of [3H]GR-65630 binding to 5-hydroxytrypt... | 8831767 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2231595 | 10.1021/jm00173a008 | Urokinase-type plasminogen activator | 2 |
| 2231595 | 10.1021/jm00173a008 | Serine protease 1 | 2 |
| 8831767 | 10.1021/jm9603936 | Serotonin 3 (5-HT3) receptor | 1 |
| 11412989 | 10.1016/s0960-894x(01)00291-8 | Serotonin 3 (5-HT3) receptor | 1 |
| 2231595 | 10.1021/jm00173a008 | Plasminogen | 1 |
| 2231595 | 10.1021/jm00173a008 | Prothrombin | 1 |
| 2231595 | 10.1021/jm00173a008 | Tissue-type plasminogen activator | 1 |
| 2231595 | 10.1021/jm00173a008 | Plasma kallikrein | 1 |
| 30207464 | 10.1021/acs.jmedchem.8b00857 | Tyrosine-protein phosphatase non-receptor type 5 | 1 |
Data from ChEMBL 36 via Core Engine