Compound Detail
CHEMBL180119
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Basic Information
| ChEMBL ID | CHEMBL180119 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AEUPQCCDJKDASR-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
349.5
MW (Da)
4.75
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 8.0 | 7.54 | 9.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 9.9 | nM | 8.0 | Inhibitory constant against sigma receptor type 2 using 3 nM [3H]ditolylguanidin... | 15634021 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 83.4 | nM | 7.08 | Inhibitory constant against sigma receptor type 1 using 3 nM [3H]pentazocine | 15634021 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15634021 | 10.1021/jm049433t | Sigma non-opioid intracellular receptor 1 | 3 |
| 15634021 | 10.1021/jm049433t | 5-hydroxytryptamine receptor 1A | 1 |
| 15634021 | 10.1021/jm049433t | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine