Compound Detail
CHEMBL5557682
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Basic Information
| ChEMBL ID | CHEMBL5557682 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXPNPBDEIXOYRC-POHAHGRESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
279.3
MW (Da)
3.19
ALogP
2
HBA
2
HBD
57.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutaminyl-peptide cyclotransferase CHEMBL4508 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
| Glutaminyl-peptide cyclotransferase-like protein CHEMBL3638349 | IC50 | 5.49 | 5.49 | 3260.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutaminyl-peptide cyclotransferase | IC50 | = | 2600.0 | nM | 5.58 | Inhibition of sQC (unknown origin) expressed in Escherichia coli Transetta (DE3)... | 38817193 |
| Glutaminyl-peptide cyclotransferase-like protein | IC50 | = | 3260.0 | nM | 5.49 | Inhibition of gQC (unknown origin) expressed in Escherichia coli Transetta (DE3)... | 38817193 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38817193 | 10.1021/acs.jmedchem.4c00049 | Glutaminyl-peptide cyclotransferase | 1 |
| 38817193 | 10.1021/acs.jmedchem.4c00049 | Glutaminyl-peptide cyclotransferase-like protein | 1 |
| 38817193 | 10.1021/acs.jmedchem.4c00049 | Pyroglutamyl-peptidase 1 | 1 |
Data from ChEMBL 36 via Core Engine