Compound Detail
CHEMBL101664
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Basic Information
| ChEMBL ID | CHEMBL101664 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SXOMHACGFSJBIO-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
193.7
MW (Da)
2.72
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 50.0 | nM | 7.3 | Binding affinity against sigma receptor in bovine cerebellum using 2.0 nM [3H]ha... | 7902869 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3871859 | 10.1021/jm00381a009 | Dihydropteridine reductase | 2 |
| 7902869 | 10.1021/jm00076a021 | Sigma non-opioid intracellular receptor 1 | 1 |
| 7902869 | 10.1021/jm00076a021 | D(2) dopamine receptor | 1 |
| 8411009 | 10.1021/jm00072a012 | Monoamine oxidase | 1 |
| 8809158 | 10.1021/jm9603882 | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine