Compound Detail
CHEMBL22629
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Basic Information
| ChEMBL ID | CHEMBL22629 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ULZAPTUUAYXQCK-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
310.4
MW (Da)
2.17
ALogP
4
HBA
6
HBD
123.8
PSA (Ų)
0.25
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 5.0 | 4.555 | 10000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 10000.0 | nM | 5.0 | Displacement of [3H]-MK-801 from rat cortical membranes NMDA receptor by beta co... | 26117647 |
| Glutamate NMDA receptor | IC50 | = | 77700.0 | nM | 4.11 | Displacement of [3H]-ifenprodil from rat cortical membranes NMDA receptor by bet... | 26117647 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1738139 | 10.1021/jm00081a003 | Nucleic Acid | 4 |
| 26117647 | 10.1016/j.bmc.2015.06.012 | Glutamate NMDA receptor | 4 |
| 1738139 | 10.1021/jm00081a003 | Calf thymus DNA | 1 |
| 9435905 | 10.1021/jm970488n | Leishmania amazonensis | 1 |
| 27287367 | 10.1016/j.bmcl.2016.05.071 | Transmembrane protease serine 6 | 1 |
Data from ChEMBL 36 via Core Engine