Compound Detail
CHEMBL9053
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Basic Information
| ChEMBL ID | CHEMBL9053 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QUYQIACDGIMYCS-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
448.7
MW (Da)
4.83
ALogP
4
HBA
4
HBD
78.2
PSA (Ų)
0.24
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei CHEMBL612849 | IC50 | 7.11 | 6.9867 | 78.0 | 3 |
| Pneumocystis carinii CHEMBL613064 | IC50 | 6.45 | 6.45 | 357.0 | 1 |
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 5.0 | 5.0 | 9940.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei | IC50 | = | 78.0 | nM | 7.11 | In vitro inhibitory concentration against mouse infected with Trypanosoma brucei... | 12620080 |
| Trypanosoma brucei | IC50 | = | 79.0 | nM | 7.1 | In vitro inhibitory concentration against mice infected with Trypanosoma brucei ... | 12620080 |
| Trypanosoma brucei | IC50 | = | 180.0 | nM | 6.75 | In vitro inhibitory concentration against mice infected with Trypanosoma brucei ... | 12620080 |
| Pneumocystis carinii | IC50 | = | 357.0 | nM | 6.45 | Antimicrobial activity against Pneumocystis carinii assessed as ATP level detect... | - |
| Glutamate NMDA receptor | IC50 | = | 9940.0 | nM | 5.0 | 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 |
| 12620080 | 10.1021/jm020375q | Trypanosoma brucei | 3 |
| 11591500 | 10.1016/s0960-894x(01)00541-8 | Pneumocystis carinii | 2 |
| - | 10.1007/s00044-005-0130-2 | Unchecked | 2 |
| 11591500 | 10.1016/s0960-894x(01)00541-8 | Nucleic Acid | 1 |
| 11591500 | 10.1016/s0960-894x(01)00541-8 | Unchecked | 1 |
| 12620080 | 10.1021/jm020375q | Calf thymus DNA | 1 |
| 12620080 | 10.1021/jm020375q | Nucleic Acid | 1 |
| - | 10.1007/s00044-005-0130-2 | Malme-3M | 1 |
| - | 10.1007/s00044-005-0130-2 | SR | 1 |
| - | 10.1007/s00044-005-0130-2 | A498 | 1 |
| - | 10.1007/s00044-005-0130-2 | DNA | 1 |
| - | 10.1007/s00044-005-0130-2 | MCF7 | 1 |
| - | 10.1007/s00044-005-0130-2 | SF-268 | 1 |
| - | 10.1007/s00044-005-0130-2 | NCI-H460 | 1 |
| - | 10.1007/s00044-005-0130-2 | Pneumocystis carinii | 1 |
Data from ChEMBL 36 via Core Engine