Compound Detail
CHEMBL492620
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Basic Information
| ChEMBL ID | CHEMBL492620 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KHLCOSGYTJPDNE-KRWDZBQOSA-N |
3
Targets
3
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
461.4
MW (Da)
3.67
ALogP
5
HBA
2
HBD
78.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor; Grin1/Grin2b CHEMBL2096666 | IC50 | 7.02 | 7.02 | 96.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 5.46 | 5.46 | 3500.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.6 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor; Grin1/Grin2b | IC50 | = | 96.0 | nM | 7.02 | Inhibition of rat recombinant NR1/NR2B receptor expressed in Xenopus oocytes ass... | 18800760 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 170.0 | nM | 6.77 | Displacement of [3H]astemizole from human ERG expressed in HEK293 cells | 18800760 |
| Adrenergic receptor alpha-1 | IC50 | = | 3500.0 | nM | 5.46 | Displacement of [3H]prazosin from alpha1 adrenergic receptor in rat brain | 18800760 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18800760 | 10.1021/jm8002153 | Glutamate NMDA receptor; Grin1/Grin2b | 1 |
| 18800760 | 10.1021/jm8002153 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 18800760 | 10.1021/jm8002153 | Adrenergic receptor alpha-1 | 1 |
| 18800760 | 10.1021/jm8002153 | Plasma | 1 |
Data from ChEMBL 36 via Core Engine