Compound Detail
CHEMBL3250734
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Basic Information
| ChEMBL ID | CHEMBL3250734 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PVONDWSPRZPGMZ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL2106077 |
| Active Moiety | CHEMBL2106077 |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
289.8
MW (Da)
3.39
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.91
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.92
Kd 1 meas. best 4.8
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of radiolabeled noradrenaline uptake in whole rat brain synaptosome | 533885 |
| Unchecked | IC50 | = | 8900.0 | nM | 5.05 | Inhibition of radiolabeled dopamine uptake in whole rat brain synaptosome | 533885 |
| Unchecked | IC50 | = | 9800.0 | nM | 5.01 | Inhibition of radiolabeled 5-hydroxytryptamine uptake in whole rat brain synapto... | 533885 |
| Ileum | Kd | = | 15848.93 | nM | 4.8 | Anticholinergic effect in guinea pig ileum assessed as inhibition of acetylcholi... | 533885 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 533885 | 10.1021/jm00197a018 | Mus musculus | 4 |
| 533885 | 10.1021/jm00197a018 | Unchecked | 3 |
| 533885 | 10.1021/jm00197a018 | Ileum | 1 |
| 533885 | 10.1021/jm00197a018 | Brain | 1 |
| 533885 | 10.1021/jm00197a018 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine