Compound Detail
CHEMBL391307
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Basic Information
| ChEMBL ID | CHEMBL391307 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GEKJAYDKEVECQC-QGZVFWFLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
436.5
MW (Da)
0.90
ALogP
9
HBA
1
HBD
100.3
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | IC50 | 6.29 | 6.29 | 518.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 8.0 | nM | 8.1 | Inhibition of human DPP4 in Caco-2 cells by fluorescene assay | 18052023 |
| Muscarinic acetylcholine receptor M1 | IC50 | = | 518.0 | nM | 6.29 | Displacement of [N-methyl-3H]scopolamine from human recombinant muscarinic M1 re... | 18052023 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18052023 | 10.1021/jm701280z | Dipeptidyl peptidase 4 | 1 |
| 18052023 | 10.1021/jm701280z | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 18052023 | 10.1021/jm701280z | Muscarinic acetylcholine receptor M1 | 1 |
Data from ChEMBL 36 via Core Engine