Compound Detail
CHEMBL50502
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Basic Information
| ChEMBL ID | CHEMBL50502 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OOTJQOAGEIGDHL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
316.1
MW (Da)
3.20
ALogP
3
HBA
2
HBD
79.5
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 4.35 | 4.35 | 45000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 45000.0 | nM | 4.35 | Ability to compete with [3H]glycine for strychnine-insensitive binding sites on ... | 1534125 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1534125 | 10.1021/jm00088a014 | Glutamate NMDA receptor | 2 |
| 30048589 | 10.1021/acs.jmedchem.7b01768 | Uracil nucleotide/cysteinyl leukotriene receptor | 2 |
| 12781194 | 10.1016/s0960-894x(03)00310-x | Unchecked | 1 |
| 1534125 | 10.1021/jm00088a014 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine