Compound Detail
CHEMBL9531
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Basic Information
| ChEMBL ID | CHEMBL9531 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OFJQDWDOCCNEIS-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
401.4
MW (Da)
2.15
ALogP
5
HBA
6
HBD
170.8
PSA (Ų)
0.27
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 4.24 | 4.19 | 58200.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 58200.0 | nM | 4.24 | Displacement of [3H]-MK-801 from rat cortical membranes NMDA receptor by beta co... | 26117647 |
| Glutamate NMDA receptor | IC50 | = | 66000.0 | nM | 4.18 | Inhibition of [3H]dizocilpine binding to N-methyl-D-aspartate (NMDA) receptor co... | 10340618 |
| Glutamate NMDA receptor | IC50 | = | 70900.0 | nM | 4.15 | 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 |
| 12620080 | 10.1021/jm020375q | Trypanosoma brucei | 3 |
| 12620080 | 10.1021/jm020375q | Mus musculus | 1 |
| 12620080 | 10.1021/jm020375q | Calf thymus DNA | 1 |
| 12620080 | 10.1021/jm020375q | Nucleic Acid | 1 |
| 10340618 | 10.1016/s0960-894x(99)00184-5 | Glutamate NMDA receptor | 1 |
Data from ChEMBL 36 via Core Engine