Compound Detail
CHEMBL117260
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Basic Information
| ChEMBL ID | CHEMBL117260 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JJEXWPHPFZLTCU-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
345.4
MW (Da)
3.57
ALogP
3
HBA
2
HBD
52.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 1 CHEMBL2015 | IC50 | 8.28 | 6.37 | 5.3 | 2 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 1 | IC50 | = | 5.3 | nM | 8.28 | Concentration required for 50% Inhibition of responses at cloned NR1A/2AB NMDA e... | 10978188 |
| Adrenergic receptor alpha-1 | IC50 | = | 500.0 | nM | 6.3 | Displacement of [3H]prazosin at alpha-1 adrenergic receptor in rat brain cortice... | 10978188 |
| D(2) dopamine receptor | IC50 | = | 2600.0 | nM | 5.58 | Displacement of [3H]raclopride at Dopamine receptor D2 in brain striata (n=1) | 10978188 |
| Glutamate receptor ionotropic, NMDA 1 | IC50 | = | 35000.0 | nM | 4.46 | Concentration required for 50% Inhibition of responses at cloned NR1A/2A NMDA ex... | 10978188 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10978188 | 10.1021/jm000023o | Glutamate receptor ionotropic, NMDA 1 | 3 |
| 20692832 | 10.1016/j.bmcl.2010.07.043 | Glutamate NMDA receptor; GRIN1/GRIN2B | 2 |
| 10978188 | 10.1021/jm000023o | Adrenergic receptor alpha-1 | 1 |
| 10978188 | 10.1021/jm000023o | D(2) dopamine receptor | 1 |
| 10978188 | 10.1021/jm000023o | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine