Compound Detail
CHEMBL556379
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Basic Information
| ChEMBL ID | CHEMBL556379 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PPQBGWDQPDZWEI-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1196287 |
| Active Moiety | CHEMBL1196287 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
405.4
MW (Da)
2.12
ALogP
11
HBA
3
HBD
160.6
PSA (Ų)
0.30
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 6.39 | 6.39 | 410.0 | 1 |
| Glutamate receptor ionotropic, AMPA CHEMBL2093871 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 410.0 | nM | 6.39 | Inhibition of [3H]MDL-105,519 binding to NMDA receptor glycine-binding site | 9871631 |
| Glutamate receptor ionotropic, AMPA | IC50 | = | 1800.0 | nM | 5.75 | Tested for in vitro binding affinity against AMPA receptor using [3H]-AMPA bindi... | 9871631 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871631 | 10.1016/s0960-894x(97)10187-1 | Glutamate receptor ionotropic, AMPA | 1 |
| 9871631 | 10.1016/s0960-894x(97)10187-1 | Glutamate NMDA receptor | 1 |
Data from ChEMBL 36 via Core Engine