Compound Detail
CHEMBL1682085
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Basic Information
| ChEMBL ID | CHEMBL1682085 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WMUIQMCPUDAHIH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
507.4
MW (Da)
4.45
ALogP
6
HBA
1
HBD
69.3
PSA (Ų)
0.48
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 5.35 | 5.35 | 4499.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.24 | 5.24 | 5823.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 4499.0 | nM | 5.35 | Displacement of [3H]-(+)-pentazocine from Sigma1-receptor in guinea pig brain me... | 21376604 |
| Unchecked | Ki | = | 5823.0 | nM | 5.24 | Displacement of [3H]ditolylguanidine from sigma2 receptor in guinea pig brain me... | 21376604 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21376604 | 10.1016/j.bmc.2011.02.006 | Unchecked | 2 |
| 21376604 | 10.1016/j.bmc.2011.02.006 | No relevant target | 2 |
| 21376604 | 10.1016/j.bmc.2011.02.006 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine