Compound Detail
CHEMBL461321
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Basic Information
| ChEMBL ID | CHEMBL461321 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RJUFFHRIPACUCZ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1170182 |
| Active Moiety | CHEMBL1170182 |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
193.3
MW (Da)
2.94
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.21
Kd 1 meas. best 5.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 5.06 | 5.06 | 8710.0 | 1 |
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 4.21 | 4.21 | 61300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 8710.0 | nM | 5.06 | Binding affinity to influenza A virus A/chicken/Germany/27 H7N7 weybridge strain... | 18947998 |
| Glutamate NMDA receptor | IC50 | = | 61300.0 | nM | 4.21 | Inhibition of NMDA receptor in rat cerebellar granule neurons assessed as NMDA-i... | 18947998 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18947998 | 10.1016/j.bmcl.2008.10.003 | Glutamate NMDA receptor | 2 |
| 18947998 | 10.1016/j.bmcl.2008.10.003 | Unchecked | 1 |
| 18947998 | 10.1016/j.bmcl.2008.10.003 | H2N2 subtype | 1 |
| 18947998 | 10.1016/j.bmcl.2008.10.003 | Influenza A virus | 1 |
| 18947998 | 10.1016/j.bmcl.2008.10.003 | Influenza B virus | 1 |
| 18947998 | 10.1016/j.bmcl.2008.10.003 | MDCK | 1 |
Data from ChEMBL 36 via Core Engine