Compound Detail
CHEMBL1202358
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Basic Information
| ChEMBL ID | CHEMBL1202358 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CYGXKNXBGQTSTJ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL325722 |
| Active Moiety | CHEMBL325722 |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
356.4
MW (Da)
4.29
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.14
Ki 1 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | Ki | 8.68 | 8.68 | 2.1 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.14 | 7.065 | 7.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | Ki | = | 2.1 | nM | 8.68 | Affinity against 3[H]TCP binding to N-methyl-D-aspartate glutamate receptor in r... | 7658445 |
| Unchecked | IC50 | = | 7.3 | nM | 8.14 | Inhibitory activity against NMDA open channel block | 7658445 |
| Unchecked | IC50 | = | 1030.0 | nM | 5.99 | Inhibitory activity against NMDA closed channel block | 7658445 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7658445 | 10.1021/jm00018a018 | Unchecked | 3 |
| 7658445 | 10.1021/jm00018a018 | No relevant target | 2 |
| 7658445 | 10.1021/jm00018a018 | Glutamate NMDA receptor | 1 |
Data from ChEMBL 36 via Core Engine