Compound Detail
CHEMBL445026
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Basic Information
| ChEMBL ID | CHEMBL445026 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZJSJILKVUGNWHF-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
207.3
MW (Da)
1.69
ALogP
1
HBA
3
HBD
61.9
PSA (Ų)
0.48
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 5.15 | 5.15 | 7100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 7100.0 | nM | 5.15 | Antagonist activity at NMDA receptor in cerebellar granule neurons assessed as i... | 18954995 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18954995 | 10.1016/j.bmc.2008.10.028 | Glutamate NMDA receptor | 2 |
| 18954995 | 10.1016/j.bmc.2008.10.028 | Human alphaherpesvirus 1 | 1 |
| 18954995 | 10.1016/j.bmc.2008.10.028 | Human alphaherpesvirus 2 | 1 |
| 18954995 | 10.1016/j.bmc.2008.10.028 | Vaccinia virus | 1 |
| 18954995 | 10.1016/j.bmc.2008.10.028 | Feline coronavirus | 1 |
| 18954995 | 10.1016/j.bmc.2008.10.028 | Human respirovirus 3 | 1 |
| 18954995 | 10.1016/j.bmc.2008.10.028 | Respiratory syncytial virus | 1 |
| 18954995 | 10.1016/j.bmc.2008.10.028 | Vesicular stomatitis virus | 1 |
| 18954995 | 10.1016/j.bmc.2008.10.028 | Sindbis virus | 1 |
| 18954995 | 10.1016/j.bmc.2008.10.028 | Punta Toro virus | 1 |
| 18954995 | 10.1016/j.bmc.2008.10.028 | Coxsackievirus B4 | 1 |
| 18954995 | 10.1016/j.bmc.2008.10.028 | Mammalian orthoreovirus 1 | 1 |
Data from ChEMBL 36 via Core Engine