Compound Detail
CHEMBL8892
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Basic Information
| ChEMBL ID | CHEMBL8892 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SBVUTMQIJNCYIG-UHFFFAOYSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
374.5
MW (Da)
1.71
ALogP
6
HBA
2
HBD
55.3
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mus musculus CHEMBL375 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
| Trypanosoma brucei CHEMBL612849 | IC50 | 7.87 | 7.5333 | 13.5 | 3 |
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 5.19 | 4.965 | 6430.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mus musculus | IC50 | = | 13.0 | nM | 7.89 | In vitro inhibitory concentration against mouse infected with Trypanosoma brucei... | 12620080 |
| Trypanosoma brucei | IC50 | = | 13.5 | nM | 7.87 | In vitro inhibitory concentration against mice infected with Trypanosoma brucei ... | 12620080 |
| Trypanosoma brucei | IC50 | = | 18.5 | nM | 7.73 | In vitro inhibitory concentration against mice infected with Trypanosoma brucei ... | 12620080 |
| Trypanosoma brucei | IC50 | = | 100.0 | nM | 7.0 | In vitro inhibitory concentration against mouse infected with Trypanosoma brucei... | 12620080 |
| Glutamate NMDA receptor | IC50 | = | 6430.0 | nM | 5.19 | Displacement of [3H]-MK-801 from rat cortical membranes NMDA receptor by beta co... | 26117647 |
| Glutamate NMDA receptor | IC50 | = | 18200.0 | nM | 4.74 | Inhibition of [3H]dizocilpine binding to N-methyl-D-aspartate (NMDA) receptor co... | 10340618 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12620080 | 10.1021/jm020375q | Trypanosoma brucei | 8 |
| 12620080 | 10.1021/jm020375q | Mus musculus | 6 |
| 26117647 | 10.1016/j.bmc.2015.06.012 | Glutamate NMDA receptor | 4 |
| 12620080 | 10.1021/jm020375q | Calf thymus DNA | 1 |
| 12620080 | 10.1021/jm020375q | Nucleic Acid | 1 |
| 10340618 | 10.1016/s0960-894x(99)00184-5 | Glutamate NMDA receptor | 1 |
Data from ChEMBL 36 via Core Engine