Compound Detail
CHEMBL1081709
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Basic Information
| ChEMBL ID | CHEMBL1081709 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WRAYVJYZRMFQRB-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
408.5
MW (Da)
3.17
ALogP
4
HBA
6
HBD
157.9
PSA (Ų)
0.19
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Pneumocystis carinii CHEMBL613064 | IC50 | 5.71 | 5.71 | 1950.0 | 1 |
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 4.64 | 4.64 | 22900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | IC50 | = | 1.0 | nM | 9.0 | Antitrypanosomal activity against Multidrug-resistant Trypanosoma brucei rhodesi... | 19736009 |
| Trypanosoma brucei brucei | IC50 | = | 3.0 | nM | 8.52 | Antitrypanosomal activity against pentamidine-sensitive Trypanosoma brucei bruce... | 19736009 |
| Pneumocystis carinii | IC50 | = | 1950.0 | nM | 5.71 | Antipneumocystis activity against Pneumocystis carinii | 19736009 |
| Glutamate NMDA receptor | IC50 | = | 22900.0 | nM | 4.64 | Displacement of [3H]-MK-801 from rat cortical membranes NMDA receptor by beta co... | 26117647 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26117647 | 10.1016/j.bmc.2015.06.012 | Glutamate NMDA receptor | 4 |
| 19736009 | 10.1016/j.bmcl.2009.08.073 | Nucleic Acid | 2 |
| 19736009 | 10.1016/j.bmcl.2009.08.073 | Trypanosoma brucei brucei | 1 |
| 19736009 | 10.1016/j.bmcl.2009.08.073 | Trypanosoma brucei rhodesiense | 1 |
| 19736009 | 10.1016/j.bmcl.2009.08.073 | Pneumocystis carinii | 1 |
| 19736009 | 10.1016/j.bmcl.2009.08.073 | A549 | 1 |
| 19736009 | 10.1016/j.bmcl.2009.08.073 | Unchecked | 1 |
| 27287367 | 10.1016/j.bmcl.2016.05.071 | Transmembrane protease serine 6 | 1 |
Data from ChEMBL 36 via Core Engine