Compound Detail
CHEMBL419399
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Basic Information
| ChEMBL ID | CHEMBL419399 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LHUVDZHUMLCYFE-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
359.5
MW (Da)
3.88
ALogP
3
HBA
2
HBD
52.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 1 CHEMBL2015 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 1 | IC50 | = | 17.0 | nM | 7.77 | Concentration required for 50% Inhibition of responses at cloned NR1A/2AB NMDA e... | 10978188 |
| Adrenergic receptor alpha-1 | IC50 | = | 3100.0 | nM | 5.51 | Displacement of [3H]prazosin at alpha-1 adrenergic receptor in rat brain cortice... | 10978188 |
| D(2) dopamine receptor | IC50 | = | 14000.0 | nM | 4.85 | Displacement of [3H]raclopride at Dopamine receptor D2 in brain striata (n=1) | 10978188 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10978188 | 10.1021/jm000023o | Glutamate receptor ionotropic, NMDA 2C | 2 |
| 10978188 | 10.1021/jm000023o | Glutamate receptor ionotropic, NMDA 1 | 1 |
| 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