Compound Detail
CHEMBL1929280
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Basic Information
| ChEMBL ID | CHEMBL1929280 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JLHHMMWQWYSMDK-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1962480 |
| Active Moiety | CHEMBL1962480 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
319.6
MW (Da)
5.85
ALogP
2
HBA
0
HBD
3.2
PSA (Ų)
0.59
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase CHEMBL5525 | Ki | 8.68 | 8.68 | 2.1 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.55 | 7.55 | 28.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase | Ki | = | 2.11 | nM | 8.68 | Displacement of [3H]-emopamil from delta(8)-delta(7) sterol isomerase in guinea ... | 22075234 |
| Unchecked | Ki | = | 28.1 | nM | 7.55 | Displacement of [3H]DTG from sigma 2 receptor in rat liver membranes | 22075234 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22075234 | 10.1016/j.bmc.2011.10.023 | Unchecked | 1 |
| 22075234 | 10.1016/j.bmc.2011.10.023 | 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase | 1 |
| 22075234 | 10.1016/j.bmc.2011.10.023 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine