Compound Detail
CHEMBL449704
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Basic Information
| ChEMBL ID | CHEMBL449704 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HVAIXAGEXCAFHX-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
329.4
MW (Da)
3.86
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.87
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor; Grin1/Grin2b CHEMBL2096666 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| Glutamate NMDA receptor; Grin1/Grin2a CHEMBL2096680 | IC50 | 4.68 | 4.68 | 21000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor; Grin1/Grin2b | IC50 | = | 50.0 | nM | 7.3 | In vitro inhibitory concentration against NMDA responses at NR1A/2B receptors ex... | 10425109 |
| Adrenergic receptor alpha-1 | IC50 | = | 1600.0 | nM | 5.8 | Affinity for alpha-1 adrenergic receptor in rat was determined by [3H]- prazosin... | 10425109 |
| Glutamate NMDA receptor; Grin1/Grin2a | IC50 | = | 21000.0 | nM | 4.68 | In vitro inhibitory concentration against NMDA responses at cloned NR1A/2A recep... | 10425109 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10425109 | 10.1021/jm990246i | Glutamate NMDA receptor; Grin1/Grin2a | 1 |
| 10425109 | 10.1021/jm990246i | Glutamate NMDA receptor; Grin1/Grin2b | 1 |
| 10425109 | 10.1021/jm990246i | Glutamate NMDA receptor; Grin1/Grin2c | 1 |
| 10425109 | 10.1021/jm990246i | Adrenergic receptor alpha-1 | 1 |
| 10425109 | 10.1021/jm990246i | Rattus | 1 |
| 10425109 | 10.1021/jm990246i | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine