Compound Detail
CHEMBL63146
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Basic Information
| ChEMBL ID | CHEMBL63146 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRLHOPLBQZRORF-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
345.4
MW (Da)
4.85
ALogP
4
HBA
1
HBD
81.0
PSA (Ų)
0.41
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.92
Ki 1 meas. best 5.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Glutamate NMDA receptor; GRIN1/GRIN2B CHEMBL1907603 | Ki | 5.27 | 5.27 | 5400.0 | 1 |
| Glutamate NMDA receptor; GRIN1/GRIN2B CHEMBL1907603 | IC50 | 5.18 | 5.18 | 6600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | IC50 | = | 1200.0 | nM | 5.92 | In vitro inhibitory activity against alpha-1 adrenergic receptor binding to rat ... | 15056006 |
| Glutamate NMDA receptor; GRIN1/GRIN2B | Ki | = | 5400.0 | nM | 5.27 | Compound was evaluated for in vitro inhibition of [3H][(E)-N-(2-methoxybenzyl)ci... | 15056006 |
| Glutamate NMDA receptor; GRIN1/GRIN2B | IC50 | = | 6600.0 | nM | 5.18 | In vitro inhibition of Glu/Gly stimulated [Ca2+] influx in LtK-cells expressing ... | 15056006 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15056006 | 10.1021/jm030483s | Glutamate NMDA receptor; GRIN1/GRIN2B | 2 |
| 15056006 | 10.1021/jm030483s | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 15056006 | 10.1021/jm030483s | Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine