Compound Detail
CHEMBL116733
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Basic Information
| ChEMBL ID | CHEMBL116733 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HTKYXIJVOMESER-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
321.2
MW (Da)
4.20
ALogP
4
HBA
3
HBD
79.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.68
Ki 1 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 1 CHEMBL330 | Ki | 7.75 | 7.75 | 18.0 | 1 |
| Glutamate receptor ionotropic, NMDA 1 CHEMBL330 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 1 | Ki | = | 18.0 | nM | 7.75 | Ability to displace strychnine-insensitive [3H]glycine binding to rat cortical m... | 1326635 |
| Glutamate receptor ionotropic, NMDA 1 | IC50 | = | 210.0 | nM | 6.68 | Inhibition of [3H]-MK-801 binding to a N-methyl-D-aspartic acid(NMDA) receptor i... | 1326635 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1326635 | 10.1021/jm00096a019 | Glutamate receptor ionotropic, NMDA 1 | 2 |
Data from ChEMBL 36 via Core Engine