Compound Detail
CHEMBL108096
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Basic Information
| ChEMBL ID | CHEMBL108096 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DHJQWBSZKBDBFP-KXUCPTDWSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
279.3
MW (Da)
1.16
ALogP
3
HBA
4
HBD
120.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate [NMDA] receptor CHEMBL2094124 | IC50 | 6.26 | 5.88 | 555.0 | 2 |
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 5.25 | 5.25 | 5600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate [NMDA] receptor | IC50 | = | 555.0 | nM | 6.26 | Tested for the inhibitory activity by the inhibition of excitatory [3H]CGS-19,75... | - |
| Glutamate [NMDA] receptor | IC50 | = | 3132.0 | nM | 5.5 | Tested for the inhibitory activity by the inhibition of excitatory L-[3H]Glutama... | - |
| Glutamate NMDA receptor | IC50 | = | 5600.0 | nM | 5.25 | Tested for the ability to inhibit the specific binding of [3H]-CGS- 19755 to NMD... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80087-6 | Mus musculus | 2 |
| - | 10.1016/S0960-894X(00)80086-4 | Glutamate [NMDA] receptor | 2 |
| - | 10.1016/S0960-894X(00)80087-6 | Glutamate NMDA receptor | 1 |
Data from ChEMBL 36 via Core Engine