Compound Detail
CHEMBL2349073
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Basic Information
| ChEMBL ID | CHEMBL2349073 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BTPSMBKLXZSVKU-IESHXZMMSA-N |
| Parent Compound | CHEMBL2365795 |
| Active Moiety | CHEMBL2365795 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
315.5
MW (Da)
5.16
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.74
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.04 | 7.04 | 90.9 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 6.96 | 6.96 | 110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 90.9 | nM | 7.04 | Displacement of [3H]DTG from sigma 2 receptor in Wistar Hannover rat liver membr... | 23415062 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 110.0 | nM | 6.96 | Displacement of [3H]pentazocine from sigma 1 receptor in Dunkin guinea pig brain... | 23415062 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23415062 | 10.1016/j.bmc.2013.01.034 | Unchecked | 4 |
| 23415062 | 10.1016/j.bmc.2013.01.034 | Sigma non-opioid intracellular receptor 1 | 3 |
| 23415062 | 10.1016/j.bmc.2013.01.034 | MCF7 | 2 |
Data from ChEMBL 36 via Core Engine