Compound Detail
CHEMBL143103
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Basic Information
| ChEMBL ID | CHEMBL143103 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RPMPAQXGZYLEST-NQERJWCQSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
307.4
MW (Da)
4.12
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.90
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 9.17 | 8.0367 | 0.7 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 0.67 | nM | 9.17 | Affinity against Sigma opioid receptor type 1 using [3H](+)-pentazocine in guine... | 10579824 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 0.67 | nM | 9.17 | Binding affinity at Sigma receptor type 1, displacement of [3H](+)-pentazocine f... | 7853349 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 1710.0 | nM | 5.77 | 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 |
| 7853349 | 10.1021/jm00003a019 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine