Compound Detail
CHEMBL5086776
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Basic Information
| ChEMBL ID | CHEMBL5086776 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CHGAADMBFNIRHL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
498.7
MW (Da)
3.28
ALogP
7
HBA
2
HBD
83.9
PSA (Ų)
0.44
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutaminyl-peptide cyclotransferase CHEMBL4508 | IC50 | 9.34 | 9.34 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutaminyl-peptide cyclotransferase | IC50 | = | 0.46 | nM | 9.34 | Inhibition of human recombinant glutaminyl cyclase using H-Gln-AMC hydrobromide ... | 34536669 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34536669 | 10.1016/j.ejmech.2021.113819 | Glutaminyl-peptide cyclotransferase | 1 |
Data from ChEMBL 36 via Core Engine