Compound Detail
CHEMBL3099037
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Basic Information
| ChEMBL ID | CHEMBL3099037 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZHYFBXZORHAYJR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
443.3
MW (Da)
4.11
ALogP
4
HBA
2
HBD
65.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 8.0 | 8.0 | 10.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 7.22 | 7.22 | 60.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 10.0 | nM | 8.0 | Displacement of [3H]DTG from guinea pig brain sigma2 receptor after 120 mins by ... | 24290063 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 60.0 | nM | 7.22 | Displacement of [3H]-(+)-pentazocine from guinea pig brain sigma1 receptor after... | 24290063 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24290063 | 10.1016/j.bmc.2013.11.014 | Unchecked | 2 |
| 24290063 | 10.1016/j.bmc.2013.11.014 | Glutamate receptor ionotropic, NMDA 2B | 1 |
| 24290063 | 10.1016/j.bmc.2013.11.014 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine