Compound Detail
CHEMBL586743
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 | CHEMBL586743 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HFAJTRYEBUXLHN-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
402.6
MW (Da)
3.17
ALogP
4
HBA
4
HBD
78.2
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pneumocystis carinii CHEMBL613064 | IC50 | 5.27 | 5.27 | 5400.0 | 1 |
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 4.71 | 4.71 | 19400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pneumocystis carinii | IC50 | = | 5400.0 | nM | 5.27 | Antimicrobial activity against Pneumocystis carinii assessed as ATP level detect... | - |
| Glutamate NMDA receptor | IC50 | = | 19400.0 | nM | 4.71 | 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 | 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