Compound Detail
CHEMBL103472
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Basic Information
| ChEMBL ID | CHEMBL103472 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DVCPCUJMFMTNPA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
325.4
MW (Da)
4.03
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 2 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor; Grin1/Grin2b CHEMBL2096666 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor; Grin1/Grin2b | IC50 | = | 28.0 | nM | 7.55 | In vitro inhibitory concentration against NMDA responses at NR1A/2B receptors ex... | 10425109 |
| Adrenergic receptor alpha-1 | IC50 | = | 1800.0 | nM | 5.75 | Affinity for alpha-1 adrenergic receptor in rat was determined by [3H]- prazosin... | 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