Compound Detail
CHEMBL1929279
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Basic Information
| ChEMBL ID | CHEMBL1929279 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTPZSTTUYGGAGQ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1962671 |
| Active Moiety | CHEMBL1962671 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
291.5
MW (Da)
5.07
ALogP
2
HBA
0
HBD
3.2
PSA (Ų)
0.75
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 9.68 | 9.68 | 0.2 | 1 |
| 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase CHEMBL5525 | Ki | 8.51 | 8.51 | 3.1 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.42 | 7.42 | 38.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 0.21 | nM | 9.68 | Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain me... | 22075234 |
| 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase | Ki | = | 3.07 | nM | 8.51 | Displacement of [3H]-emopamil from delta(8)-delta(7) sterol isomerase in guinea ... | 22075234 |
| Unchecked | Ki | = | 38.0 | nM | 7.42 | 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 | 2 |
| 22075234 | 10.1016/j.bmc.2011.10.023 | Sigma non-opioid intracellular receptor 1 | 1 |
| 22075234 | 10.1016/j.bmc.2011.10.023 | 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase | 1 |
Data from ChEMBL 36 via Core Engine