Compound Detail
CHEMBL75608
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Basic Information
| ChEMBL ID | CHEMBL75608 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YKRPIOCDRMZEBF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
3
PK Parameters
6
Publications
0
Known Names
Molecular Properties
340.6
MW (Da)
4.84
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 9.21 | 9.21 | 0.6 | 1 |
| Sigma 2 receptor CHEMBL613288 | Ki | 9.17 | 9.17 | 0.7 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Fu | 0.0519 | - | Homo sapiens |
| T1/2 | 0.084 | hr | Homo sapiens |
| T1/2 | 0.05083 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 0.61 | nM | 9.21 | In vitro binding affinity at opioid sigma-1 receptor in guinea pig brain membran... | 15084129 |
| Sigma 2 receptor | Ki | = | 0.68 | nM | 9.17 | In vitro binding affinity at opioid sigma-2 receptor in rat liver membranes by [... | 15084129 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35586423 | 10.1021/acsmedchemlett.1c00713 | ADMET | 7 |
| 35586423 | 10.1021/acsmedchemlett.1c00713 | No relevant target | 3 |
| 15084129 | 10.1021/jm031026e | Sigma non-opioid intracellular receptor 1 | 2 |
| 15084129 | 10.1021/jm031026e | Sigma 2 receptor | 1 |
| 15084129 | 10.1021/jm031026e | Adrenergic receptor alpha-1 | 1 |
| 15084129 | 10.1021/jm031026e | Serotonin 3 (5-HT3) receptor | 1 |
Data from ChEMBL 36 via Core Engine