Compound Detail
CHEMBL1201889
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Basic Information
| ChEMBL ID | CHEMBL1201889 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NJDDNMQAJWMJAE-UHFFFAOYSA-N |
| Parent Compound | CHEMBL367429 |
| Active Moiety | CHEMBL367429 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
311.4
MW (Da)
3.79
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.82
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor; Grin1/Grin2b CHEMBL2096666 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
| Glutamate NMDA receptor; Grin1/Grin2a CHEMBL2096680 | IC50 | 4.23 | 4.23 | 59000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor; Grin1/Grin2b | IC50 | = | 19.0 | nM | 7.72 | Inhibitory activity against Xenopus oocytes expressing rat N-Methyl-D-aspartate ... | 10715162 |
| Glutamate NMDA receptor; Grin1/Grin2a | IC50 | = | 59000.0 | nM | 4.23 | Inhibitory activity against Xenopus oocytes expressing rat N-Methyl-D-aspartate ... | 10715162 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10715162 | 10.1021/jm990428c | Glutamate NMDA receptor; Grin1/Grin2a | 1 |
| 10715162 | 10.1021/jm990428c | Glutamate NMDA receptor; Grin1/Grin2b | 1 |
| 10715162 | 10.1021/jm990428c | Glutamate NMDA receptor; Grin1/Grin2c | 1 |
Data from ChEMBL 36 via Core Engine