Compound Detail
CHEMBL5202172
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Basic Information
| ChEMBL ID | CHEMBL5202172 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MSDHJZZMIAKRLP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
480.6
MW (Da)
3.30
ALogP
10
HBA
1
HBD
100.5
PSA (Ų)
0.36
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutaminyl-peptide cyclotransferase CHEMBL4508 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Glutaminyl-peptide cyclotransferase-like protein CHEMBL3638349 | IC50 | 7.14 | 7.14 | 72.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutaminyl-peptide cyclotransferase | IC50 | = | 20.0 | nM | 7.7 | Inhibition of recombinant human QC using H-Gln-AMC hydrobromide as fluorogenic s... | 36105338 |
| Glutaminyl-peptide cyclotransferase-like protein | IC50 | = | 72.0 | nM | 7.14 | Inhibition of recombinant human isoQC using H-Gln-AMC hydrobromide as fluorogeni... | 36105338 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36105338 | 10.1021/acsmedchemlett.2c00256 | Glutaminyl-peptide cyclotransferase-like protein | 1 |
| 36105338 | 10.1021/acsmedchemlett.2c00256 | Glutaminyl-peptide cyclotransferase | 1 |
Data from ChEMBL 36 via Core Engine