Compound Detail
CHEMBL199848
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Basic Information
| ChEMBL ID | CHEMBL199848 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HWSUCPCXFDKGML-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
411.9
MW (Da)
6.77
ALogP
5
HBA
2
HBD
62.6
PSA (Ų)
0.38
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.8
Ki 1 meas. best 8.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | Ki | 8.38 | 8.38 | 4.1 | 1 |
| L cells CHEMBL612266 | IC50 | 4.8 | 4.8 | 15900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | Ki | = | 4.12 | nM | 8.38 | Inhibition of [3H]glycine binding to NMDA receptor in rat brain membranes | 16451052 |
| L cells | IC50 | = | 15900.0 | nM | 4.8 | Cytotoxicity against mouse fibroblast L(tk-) cells transfected with human NMDA u... | 16451052 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16451052 | 10.1021/jm0503493 | Glutamate NMDA receptor | 1 |
| 16451052 | 10.1021/jm0503493 | L cells | 1 |
Data from ChEMBL 36 via Core Engine