Compound Detail
CHEMBL4081803
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Basic Information
| ChEMBL ID | CHEMBL4081803 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CCDJKQZANHLIDK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
446.6
MW (Da)
2.25
ALogP
7
HBA
3
HBD
75.6
PSA (Ų)
0.36
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutaminyl-peptide cyclotransferase CHEMBL4508 | IC50 | 7.94 | 7.94 | 11.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutaminyl-peptide cyclotransferase | IC50 | = | 11.4 | nM | 7.94 | Inhibition of human glutaminyl cyclase assessed as reduction in conversion of H-... | 28234463 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28234463 | 10.1021/acs.jmedchem.7b00098 | Glutaminyl-peptide cyclotransferase | 1 |
Data from ChEMBL 36 via Core Engine