Compound Detail
CHEMBL9479
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL9479 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MMYREGXJAGMVDE-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
387.5
MW (Da)
2.85
ALogP
5
HBA
2
HBD
52.0
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei CHEMBL612849 | IC50 | 7.06 | 6.8533 | 88.0 | 3 |
| Mus musculus CHEMBL375 | IC50 | 6.81 | 6.81 | 155.0 | 1 |
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 5.2 | 5.2 | 6290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei | IC50 | = | 88.0 | nM | 7.06 | In vitro inhibitory concentration against mouse infected with Trypanosoma brucei... | 12620080 |
| Mus musculus | IC50 | = | 155.0 | nM | 6.81 | In vitro inhibitory concentration against mouse infected with Trypanosoma brucei... | 12620080 |
| Trypanosoma brucei | IC50 | = | 169.0 | nM | 6.77 | In vitro inhibitory concentration against mice infected with Trypanosoma brucei ... | 12620080 |
| Trypanosoma brucei | IC50 | = | 185.0 | nM | 6.73 | In vitro inhibitory concentration against mice infected with Trypanosoma brucei ... | 12620080 |
| Glutamate NMDA receptor | IC50 | = | 6290.0 | nM | 5.2 | 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 | 3 |
| 12620080 | 10.1021/jm020375q | Mus musculus | 1 |
| 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