Compound Detail
CHEMBL297076
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Basic Information
| ChEMBL ID | CHEMBL297076 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VGFALHATLLBXIT-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
165.2
MW (Da)
1.00
ALogP
2
HBA
3
HBD
71.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.39 | 6.39 | 407.4 | 1 |
| Serotonin 3 (5-HT3) receptor CHEMBL2094132 | Ki | 6.0 | 6.0 | 990.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 407.38 | nM | 6.39 | Displacement of [3H]RX821002 from alpha2 adrenergic receptor in human brain pref... | 18459731 |
| Serotonin 3 (5-HT3) receptor | Ki | = | 990.0 | nM | 6.0 | Binding affinity to 5-HT3 serotonin receptor in NG 108-15 neuroblastoma glioma c... | 11412989 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2231595 | 10.1021/jm00173a008 | Urokinase-type plasminogen activator | 2 |
| 2231595 | 10.1021/jm00173a008 | Serine protease 1 | 2 |
| 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 |
| 18459731 | 10.1021/jm800026x | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine