Compound Detail
CHEMBL102740
ARCAINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL102740 |
| Name | ARCAINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HGMDNMBBCKDWTQ-UHFFFAOYSA-N |
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
172.2
MW (Da)
-1.27
ALogP
2
HBA
6
HBD
123.8
PSA (Ų)
0.18
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 5.34 | 5.0467 | 4600.0 | 3 |
| Glutamate [NMDA] receptor CHEMBL2094124 | IC50 | 5.04 | 4.57 | 9130.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 4600.0 | nM | 5.34 | Displacement of [3H]-MK-801 from rat cortical membranes NMDA receptor by beta co... | 26117647 |
| Glutamate NMDA receptor | IC50 | = | 6390.0 | nM | 5.19 | Displacement of [3H]MK-801 from NMDA receptor in Wistar rat brain membranes by s... | 26296478 |
| Glutamate [NMDA] receptor | IC50 | = | 9130.0 | nM | 5.04 | Ability to inhibit MK-801 binding to the NMDA receptor was determined | 9934452 |
| Glutamate NMDA receptor | IC50 | = | 24400.0 | nM | 4.61 | Displacement of [3H]-ifenprodil from rat cortical membranes NMDA receptor by bet... | 26117647 |
| Glutamate [NMDA] receptor | IC50 | = | 79980.0 | nM | 4.1 | Ability to inhibit MK-801 binding to NMDA receptor in the presence of 100 uM of ... | 9934452 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26296478 | 10.1016/j.bmcl.2015.08.017 | Glutamate NMDA receptor | 15 |
| 19422230 | 10.1021/jm8011933 | Mus musculus | 4 |
| 26117647 | 10.1016/j.bmc.2015.06.012 | Glutamate NMDA receptor | 4 |
| 9934452 | 10.1016/s0960-894x(98)00631-3 | Glutamate [NMDA] receptor | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 7636868 | 10.1021/jm00016a008 | Deoxyhypusine synthase | 1 |
| 18788725 | 10.1021/jm8003152 | Solute carrier family 22 member 1 | 1 |
Data from ChEMBL 36 via Core Engine