Compound Detail
CHEMBL1774578
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Basic Information
| ChEMBL ID | CHEMBL1774578 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UNOGZCNQPVUIQG-NZQKXSOJSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
365.5
MW (Da)
3.10
ALogP
4
HBA
1
HBD
49.8
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 8.15 | 8.15 | 7.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.24 | 6.24 | 571.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 7.01 | nM | 8.15 | Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain m... | 21476493 |
| Unchecked | Ki | = | 571.0 | nM | 6.24 | Displacement of [3H]DTG from sigma 2 receptor in guinea pig brain membranes afte... | 21476493 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21476493 | 10.1021/jm200144j | Unchecked | 3 |
| 21476493 | 10.1021/jm200144j | Sigma non-opioid intracellular receptor 1 | 2 |
| 21476493 | 10.1021/jm200144j | Rattus norvegicus | 2 |
| 21476493 | 10.1021/jm200144j | Mu-type opioid receptor | 1 |
| 21476493 | 10.1021/jm200144j | D(1A) dopamine receptor | 1 |
| 21476493 | 10.1021/jm200144j | D(2) dopamine receptor | 1 |
| 21476493 | 10.1021/jm200144j | D(3) dopamine receptor | 1 |
| 21476493 | 10.1021/jm200144j | 5-hydroxytryptamine receptor 2A | 1 |
| 21476493 | 10.1021/jm200144j | Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine