Compound Detail
CHEMBL21641
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Basic Information
| ChEMBL ID | CHEMBL21641 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RNOLFZACEWWIHP-UHFFFAOYSA-N |
4
Targets
9
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
196.6
MW (Da)
1.69
ALogP
4
HBA
2
HBD
66.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 5.75 | 5.5825 | 1800.0 | 4 |
| Glutamate [NMDA] receptor CHEMBL2094124 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
| Glutamate receptor ionotropic, NMDA 1 CHEMBL330 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
| Glutamate receptor ionotropic, AMPA CHEMBL2093871 | IC50 | 4.28 | 4.28 | 52000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of [3H]DCKA binding to NMDA receptor of rat brain membranes. | 8917657 |
| Glutamate NMDA receptor | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of [3H]DCKA binding to NMDA receptor of rat brain membranes. | 8917657 |
| Glutamate [NMDA] receptor | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of [3H]DCKA binding to N-methyl-D-aspartate glutamate receptor | 12699379 |
| Glutamate NMDA receptor | IC50 | = | 1800.0 | nM | 5.75 | Displacement of [3H]DCKA at N-methyl-D-aspartate glutamate receptor 1 | 9357535 |
| Glutamate receptor ionotropic, NMDA 1 | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of [3H]- DCKA binding to NMDA receptor of rat brain membranes | 8765507 |
| Glutamate NMDA receptor | IC50 | = | 8400.0 | nM | 5.08 | Inhibition of [3H]glycine binding to glycine site of N-methyl-D-aspartate glutam... | 1826744 |
| Glutamate receptor ionotropic, AMPA | IC50 | = | 52000.0 | nM | 4.28 | Binding affinity in rat brain cortical membranes by the displacement of [3H]AMPA... | 9357535 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8917657 | 10.1021/jm960520y | Glutamate NMDA receptor | 2 |
| 12699379 | 10.1021/jm0210156 | Glutamate [NMDA] receptor | 2 |
| 1826744 | 10.1021/jm00108a002 | Glutamate NMDA receptor | 2 |
| 7473565 | 10.1021/jm00022a003 | Glutamate receptor ionotropic, NMDA 1 | 1 |
| 7473565 | 10.1021/jm00022a003 | Glutamate receptor ionotropic, AMPA | 1 |
| 7473565 | 10.1021/jm00022a003 | Unchecked | 1 |
| 9357535 | 10.1021/jm970396y | Glutamate NMDA receptor | 1 |
| 9357535 | 10.1021/jm970396y | Glutamate receptor ionotropic, AMPA | 1 |
| 9357535 | 10.1021/jm970396y | Glutamate receptor ionotropic, kainate | 1 |
| 1826744 | 10.1021/jm00108a002 | Glutamate receptor ionotropic, AMPA | 1 |
| 1826744 | 10.1021/jm00108a002 | Glutamate receptor ionotropic, kainate | 1 |
| 8765507 | 10.1021/jm960214k | Glutamate receptor ionotropic, NMDA 1 | 1 |
| 8765507 | 10.1021/jm960214k | Unchecked | 1 |
| 8765507 | 10.1021/jm960214k | Glutamate receptor ionotropic, AMPA | 1 |
Data from ChEMBL 36 via Core Engine