Compound Detail
CHEMBL40454
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Basic Information
| ChEMBL ID | CHEMBL40454 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UCKTTZKQUGCZHG-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
320.4
MW (Da)
4.25
ALogP
2
HBA
2
HBD
39.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor; Grin1/Grin2b CHEMBL2096666 | IC50 | 6.25 | 6.25 | 560.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.24 | 4.24 | 58000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor; Grin1/Grin2b | IC50 | = | 560.0 | nM | 6.25 | Antagonist activity against rat 1A/2B subtype of N-methyl-D-aspartate (NMDA) rec... | 10386947 |
| Unchecked | IC50 | = | 58000.0 | nM | 4.24 | Antagonist activity against rat 1A/2A subtype of N-methyl-D-aspartate (NMDA) rec... | 10386947 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10386947 | 10.1016/s0960-894x(99)00248-6 | Unchecked | 2 |
| 20692832 | 10.1016/j.bmcl.2010.07.043 | Glutamate NMDA receptor; GRIN1/GRIN2B | 2 |
| 10386947 | 10.1016/s0960-894x(99)00248-6 | Glutamate NMDA receptor; Grin1/Grin2b | 1 |
Data from ChEMBL 36 via Core Engine