Compound Detail
CHEMBL276449
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Basic Information
| ChEMBL ID | CHEMBL276449 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KXWSNXBUXUJSJP-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
399.5
MW (Da)
3.07
ALogP
5
HBA
2
HBD
52.0
PSA (Ų)
0.81
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei CHEMBL612849 | IC50 | 7.05 | 6.55 | 90.0 | 3 |
| Mus musculus CHEMBL375 | IC50 | 6.58 | 6.58 | 265.0 | 1 |
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 4.45 | 4.45 | 35600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei | IC50 | = | 90.0 | nM | 7.05 | In vitro inhibitory concentration against mouse infected with Trypanosoma brucei... | 12620080 |
| Mus musculus | IC50 | = | 265.0 | nM | 6.58 | In vitro inhibitory concentration against mouse infected with Trypanosoma brucei... | 12620080 |
| Trypanosoma brucei | IC50 | = | 465.0 | nM | 6.33 | In vitro inhibitory concentration against mice infected with Trypanosoma brucei ... | 12620080 |
| Trypanosoma brucei | IC50 | = | 540.0 | nM | 6.27 | In vitro inhibitory concentration against mice infected with Trypanosoma brucei ... | 12620080 |
| Glutamate NMDA receptor | IC50 | = | 35600.0 | nM | 4.45 | 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