Compound Detail
CHEMBL5287602
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Basic Information
| ChEMBL ID | CHEMBL5287602 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGQBWUPWPHJCNV-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
394.5
MW (Da)
4.17
ALogP
4
HBA
2
HBD
78.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutaminyl-peptide cyclotransferase CHEMBL4508 | IC50 | 7.84 | 7.84 | 14.5 | 1 |
| Glutaminyl-peptide cyclotransferase CHEMBL4105900 | IC50 | 7.74 | 7.74 | 18.2 | 1 |
| Glutaminyl-peptide cyclotransferase-like protein CHEMBL3638349 | IC50 | 7.06 | 7.06 | 87.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutaminyl-peptide cyclotransferase | IC50 | = | 14.5 | nM | 7.84 | Inhibition of human glutaminyl cyclase using L-glutamine-7-amido-4-methylcoumari... | 36265279 |
| Glutaminyl-peptide cyclotransferase | IC50 | = | 18.2 | nM | 7.74 | Inhibition of mouse glutaminyl cyclase | 36265279 |
| Glutaminyl-peptide cyclotransferase-like protein | IC50 | = | 87.9 | nM | 7.06 | Inhibition of isoQC (unknown origin) | 36265279 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36265279 | 10.1016/j.ejmech.2022.114837 | ADMET | 3 |
| 36265279 | 10.1016/j.ejmech.2022.114837 | Glutaminyl-peptide cyclotransferase | 2 |
| 36265279 | 10.1016/j.ejmech.2022.114837 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 2 |
| 36265279 | 10.1016/j.ejmech.2022.114837 | HT-22 | 1 |
| 36265279 | 10.1016/j.ejmech.2022.114837 | Mus musculus | 1 |
| 36265279 | 10.1016/j.ejmech.2022.114837 | Glutaminyl-peptide cyclotransferase-like protein | 1 |
Data from ChEMBL 36 via Core Engine