Compound Detail
CHEMBL4099813
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Basic Information
| ChEMBL ID | CHEMBL4099813 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HWUQJHZBLVVJKH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
460.6
MW (Da)
2.64
ALogP
7
HBA
3
HBD
75.6
PSA (Ų)
0.33
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutaminyl-peptide cyclotransferase CHEMBL4508 | IC50 | 8.32 | 8.32 | 4.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutaminyl-peptide cyclotransferase | IC50 | = | 4.8 | nM | 8.32 | 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 |
| 28234463 | 10.1021/acs.jmedchem.7b00098 | HT-22 | 1 |
| 28234463 | 10.1021/acs.jmedchem.7b00098 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine