Compound Detail
CHEMBL139009
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Basic Information
| ChEMBL ID | CHEMBL139009 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SJTVSBDJJVUPBH-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
328.8
MW (Da)
4.70
ALogP
5
HBA
2
HBD
65.7
PSA (Ų)
0.53
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.7
Ki 1 meas. best 7.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 1 CHEMBL330 | Ki | 7.32 | 7.32 | 47.6 | 1 |
| Glutamate NMDA receptor; Grin1/Grin2b CHEMBL2096666 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 1 | Ki | = | 47.6 | nM | 7.32 | Displacement of [3H]-5-7 dichlorokynurenic acid ([3H]- DCKA) from N-methyl-D-asp... | 10543883 |
| Glutamate NMDA receptor; Grin1/Grin2b | IC50 | = | 200.0 | nM | 6.7 | Antagonistic activity for suppression of membrane current response elicited by f... | 10543883 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10543883 | 10.1021/jm9910730 | Glutamate NMDA receptor; Grin1/Grin2b | 1 |
| 10543883 | 10.1021/jm9910730 | Glutamate receptor ionotropic, NMDA 1 | 1 |
Data from ChEMBL 36 via Core Engine