Compound Detail
CHEMBL3259988
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Basic Information
| ChEMBL ID | CHEMBL3259988 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JTJHHYKAFPPPFM-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
231.3
MW (Da)
3.25
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 5.72 | 5.715 | 1900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 1900.0 | nM | 5.72 | Antagonist activity at NMDA receptor in rat CGN cells assessed as increase in in... | 31351393 |
| Glutamate NMDA receptor | IC50 | = | 1930.0 | nM | 5.71 | Antagonist activity at NMDA receptor in primary culture of rat cerebellar granul... | 24698811 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25515953 | 10.1016/j.bmc.2014.11.041 | Staphylococcus aureus | 2 |
| 31351393 | 10.1016/j.ejmech.2019.07.051 | Glutamate NMDA receptor | 2 |
| 24698811 | 10.1016/j.bmc.2014.03.025 | Glutamate NMDA receptor | 1 |
| 25515953 | 10.1016/j.bmc.2014.11.041 | Pseudomonas aeruginosa | 1 |
| 31351393 | 10.1016/j.ejmech.2019.07.051 | Amyloid-beta precursor protein | 1 |
| 31351393 | 10.1016/j.ejmech.2019.07.051 | Microtubule-associated protein tau | 1 |
| 31351393 | 10.1016/j.ejmech.2019.07.051 | No relevant target | 1 |
| 31351393 | 10.1016/j.ejmech.2019.07.051 | Beta-secretase 1 | 1 |
| 31351393 | 10.1016/j.ejmech.2019.07.051 | Cholinesterase | 1 |
| 31351393 | 10.1016/j.ejmech.2019.07.051 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine