Compound Detail
CHEMBL229886
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Basic Information
| ChEMBL ID | CHEMBL229886 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NILCGOAKNCPCHT-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
311.5
MW (Da)
2.06
ALogP
4
HBA
3
HBD
81.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 4.99 | 4.8 | 10300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 10300.0 | nM | 4.99 | Displacement of [3H]MK801 from rat brain NMDA receptor in presence of 30 uM sper... | 17112642 |
| Glutamate NMDA receptor | IC50 | = | 24700.0 | nM | 4.61 | Displacement of [3H]MK-801 from rat brain NMDA receptor | 17112642 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17112642 | 10.1016/j.ejmech.2006.09.017 | Glutamate NMDA receptor | 2 |
Data from ChEMBL 36 via Core Engine