Compound Detail
CHEMBL5085353
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Basic Information
| ChEMBL ID | CHEMBL5085353 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XUPHEANOOLFRLN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
510.7
MW (Da)
5.08
ALogP
7
HBA
2
HBD
90.5
PSA (Ų)
0.24
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutaminyl-peptide cyclotransferase CHEMBL4508 | IC50 | 9.52 | 9.52 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutaminyl-peptide cyclotransferase | IC50 | = | 0.3 | nM | 9.52 | 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