Compound Detail
CHEMBL4276754
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4276754 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AMKXJSONOHLWKD-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
294.4
MW (Da)
3.89
ALogP
2
HBA
0
HBD
16.1
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma intracellular receptor 2 CHEMBL4105864 | Ki | 7.17 | 7.17 | 68.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 6.58 | 6.58 | 261.0 | 1 |
| Glutamate NMDA receptor; GRIN1/GRIN2B CHEMBL1907603 | Ki | 6.35 | 6.35 | 445.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma intracellular receptor 2 | Ki | = | 68.0 | nM | 7.17 | Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membr... | 30103189 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 261.0 | nM | 6.58 | Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain co... | 30103189 |
| Glutamate NMDA receptor; GRIN1/GRIN2B | Ki | = | 445.0 | nM | 6.35 | Displacement of [3H]-ifenprodil from GluN1a/GluN2B (unknown origin) expressed in... | 30103189 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30103189 | 10.1016/j.ejmech.2018.08.003 | Unchecked | 2 |
| 30103189 | 10.1016/j.ejmech.2018.08.003 | Glutamate NMDA receptor; GRIN1/GRIN2B | 1 |
| 30103189 | 10.1016/j.ejmech.2018.08.003 | Sigma non-opioid intracellular receptor 1 | 1 |
| 30103189 | 10.1016/j.ejmech.2018.08.003 | Sigma intracellular receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine