Compound Detail
CHEMBL4539841
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Basic Information
| ChEMBL ID | CHEMBL4539841 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MKJUKNYEJIRNNS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
442.6
MW (Da)
4.32
ALogP
5
HBA
1
HBD
51.5
PSA (Ų)
0.39
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutaminyl-peptide cyclotransferase CHEMBL4508 | IC50 | 8.47 | 8.47 | 3.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutaminyl-peptide cyclotransferase | IC50 | = | 3.4 | nM | 8.47 | Inhibition of recombinant human N-terminal His6-tagged glutaminyl cyclase (Ala33... | 31411468 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31411468 | 10.1021/acs.jmedchem.9b00751 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 31411468 | 10.1021/acs.jmedchem.9b00751 | HT-22 | 1 |
| 31411468 | 10.1021/acs.jmedchem.9b00751 | Glutaminyl-peptide cyclotransferase | 1 |
| 31411468 | 10.1021/acs.jmedchem.9b00751 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine