Compound Detail
CHEMBL139774
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Basic Information
| ChEMBL ID | CHEMBL139774 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KALAYTDAUFXMQW-GHTZIAJQSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
291.4
MW (Da)
5.00
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.74
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 7.83 | 6.95 | 14.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 14.8 | nM | 7.83 | Affinity against Sigma opioid receptor type 1 using [3H](+)-pentazocine in guine... | 10579824 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 850.0 | nM | 6.07 | Affinity against Sigma opioid receptor type 2 using [3H]- DTG in rat liver membr... | 10579824 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10579824 | 10.1021/jm990169r | Sigma non-opioid intracellular receptor 1 | 2 |
Data from ChEMBL 36 via Core Engine