Compound Detail
CHEMBL142952
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Basic Information
| ChEMBL ID | CHEMBL142952 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BSZRBFBSRCZEFP-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
400.4
MW (Da)
2.76
ALogP
4
HBA
6
HBD
157.9
PSA (Ų)
0.28
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.38 | 5.38 | 4120.0 | 1 |
| Pneumocystis carinii CHEMBL613064 | IC50 | 4.64 | 4.64 | 22800.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 4.28 | 4.275 | 52900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 4120.0 | nM | 5.38 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum D6 b... | 17533134 |
| Pneumocystis carinii | IC50 | = | 22800.0 | nM | 4.64 | inhibitory concentration against Pneumocystis carinii | 15357989 |
| Pneumocystis carinii | IC50 | = | 22800.0 | nM | 4.64 | Antimicrobial activity against Pneumocystis carinii assessed as ATP level detect... | - |
| Unchecked | IC50 | = | 50000.0 | nM | 4.3 | Binding affinity to r(CUG)6 (unknown origin) assessed as inhibition of RNA-MBNL1... | 24630693 |
| Glutamate NMDA receptor | IC50 | = | 52900.0 | nM | 4.28 | Displacement of [3H]-MK-801 from rat cortical membranes NMDA receptor by beta co... | 26117647 |
| Glutamate NMDA receptor | IC50 | = | 53900.0 | nM | 4.27 | 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 |
| 27287367 | 10.1016/j.bmcl.2016.05.071 | Transmembrane protease serine 6 | 2 |
| 6708048 | 10.1021/jm00370a007 | Nucleic Acid | 1 |
| 6157024 | 10.1021/jm00181a016 | Nucleic Acid | 1 |
| 15357989 | 10.1016/j.bmcl.2004.06.034 | A549 | 1 |
| 15357989 | 10.1016/j.bmcl.2004.06.034 | Pneumocystis carinii | 1 |
| 17533134 | 10.1016/j.bmc.2007.05.034 | Plasmodium falciparum | 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 |
| 24630693 | 10.1016/j.bmc.2014.02.049 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine