Compound Detail
CHEMBL4075349
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Basic Information
| ChEMBL ID | CHEMBL4075349 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IDWUXOVPWAEEOT-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
321.5
MW (Da)
4.54
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 7.32 | 7.32 | 48.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.93 | 6.93 | 118.0 | 1 |
| Glutamate NMDA receptor; GRIN1/GRIN2B CHEMBL1907603 | Ki | 6.8 | 6.8 | 157.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 48.0 | nM | 7.32 | Displacement of [3H](+)-Pentazocine from sigma 1 receptor in guinea pig brain me... | 28797770 |
| Unchecked | Ki | = | 118.0 | nM | 6.93 | Displacement of [3H]-di-o-tolylguanidine from sigma 2 receptor in rat liver memb... | 28797770 |
| Glutamate NMDA receptor; GRIN1/GRIN2B | Ki | = | 157.0 | nM | 6.8 | Displacement of [3H]ifenprodil from human NR1-1a/NR2B receptor expressed in Mous... | 28797770 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28797770 | 10.1016/j.bmc.2017.07.059 | Unchecked | 2 |
| 28797770 | 10.1016/j.bmc.2017.07.059 | Glutamate NMDA receptor; GRIN1/GRIN2B | 1 |
| 28797770 | 10.1016/j.bmc.2017.07.059 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine