Compound Detail
CHEMBL185172
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL185172 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NGNNYXKLQYDNPQ-UHFFFAOYSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
374.4
MW (Da)
3.41
ALogP
4
HBA
4
HBD
118.2
PSA (Ų)
0.36
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.17 | 6.17 | 671.0 | 1 |
| Pneumocystis carinii CHEMBL613064 | IC50 | 5.89 | 5.83 | 1300.0 | 2 |
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 5.66 | 5.18 | 2190.0 | 3 |
| A549 CHEMBL392 | IC50 | 4.36 | 4.36 | 44100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 671.0 | nM | 6.17 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum D6 b... | 17533134 |
| Pneumocystis carinii | IC50 | = | 1300.0 | nM | 5.89 | inhibitory concentration against Pneumocystis carinii | 15357989 |
| Pneumocystis carinii | IC50 | = | 1700.0 | nM | 5.77 | Antimicrobial activity against Pneumocystis carinii assessed as ATP level detect... | - |
| Glutamate NMDA receptor | IC50 | = | 2190.0 | nM | 5.66 | Displacement of [3H]-MK-801 from rat cortical membranes NMDA receptor by beta co... | 26117647 |
| Glutamate NMDA receptor | IC50 | = | 7290.0 | nM | 5.14 | Displacement of [3H]-ifenprodil from rat cortical membranes NMDA receptor by bet... | 26117647 |
| Glutamate NMDA receptor | IC50 | = | 18400.0 | nM | 4.74 | Displacement of [3H]-MK-801 from rat cortical membranes NMDA receptor by beta co... | 26117647 |
| A549 | IC50 | = | 44100.0 | nM | 4.36 | Cytotoxicity against A549 cell line | 15357989 |
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 |
| 15357989 | 10.1016/j.bmcl.2004.06.034 | Pneumocystis carinii | 1 |
| 15357989 | 10.1016/j.bmcl.2004.06.034 | A549 | 1 |
| 17533134 | 10.1016/j.bmc.2007.05.034 | Plasmodium falciparum | 1 |
| - | 10.1007/s00044-005-0130-2 | SN12C | 1 |
| - | 10.1007/s00044-005-0130-2 | CAKI-1 | 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 |
| 27287367 | 10.1016/j.bmcl.2016.05.071 | Transmembrane protease serine 6 | 1 |
Data from ChEMBL 36 via Core Engine