Compound Detail
CHEMBL116027
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Basic Information
| ChEMBL ID | CHEMBL116027 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AGLIEYLNSZPHFT-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1180178 |
| Active Moiety | CHEMBL1180178 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
334.5
MW (Da)
1.91
ALogP
3
HBA
4
HBD
115.5
PSA (Ų)
0.41
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate [NMDA] receptor CHEMBL2094124 | IC50 | 4.69 | 4.475 | 20600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate [NMDA] receptor | IC50 | = | 20600.0 | nM | 4.69 | Ability to inhibit MK-801 binding to the NMDA receptor was determined | 9934452 |
| Glutamate [NMDA] receptor | IC50 | = | 55260.0 | nM | 4.26 | Ability to inhibit MK-801 binding to NMDA receptor in the presence of 100 uM of ... | 9934452 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9934452 | 10.1016/s0960-894x(98)00631-3 | Glutamate [NMDA] receptor | 2 |
Data from ChEMBL 36 via Core Engine