Compound Detail
CHEMBL537055
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Basic Information
| ChEMBL ID | CHEMBL537055 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZWEXWKWRQUJAHI-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
402.6
MW (Da)
2.49
ALogP
6
HBA
2
HBD
55.3
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pneumocystis carinii CHEMBL613064 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 4.62 | 4.62 | 23800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pneumocystis carinii | IC50 | = | 3000.0 | nM | 5.52 | Antimicrobial activity against Pneumocystis carinii assessed as ATP level detect... | - |
| Glutamate NMDA receptor | IC50 | = | 23800.0 | nM | 4.62 | 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 |
| - | 10.1007/s00044-005-0130-2 | Unchecked | 2 |
| - | 10.1007/s00044-005-0130-2 | SN12C | 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