Compound Detail
CHEMBL3659479
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Basic Information
| ChEMBL ID | CHEMBL3659479 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BUMRXYOROJIKJT-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
354.4
MW (Da)
4.27
ALogP
3
HBA
1
HBD
49.6
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.05
Ki 2 meas. best 6.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutaminyl-peptide cyclotransferase CHEMBL4508 | Ki | 6.83 | 6.83 | 149.0 | 2 |
| Glutaminyl-peptide cyclotransferase CHEMBL4508 | IC50 | 6.05 | 6.05 | 882.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutaminyl-peptide cyclotransferase | Ki | = | 149.0 | nM | 6.83 | Spectrophotometic Assay: Spectrophotometic Assay: This novel assay was used to d... | - |
| Glutaminyl-peptide cyclotransferase | Ki | = | 149.0 | nM | 6.83 | Fluorometric Assay: All measurements were performed with a BioAssay Reader HTS-7... | - |
| Glutaminyl-peptide cyclotransferase | IC50 | = | 882.0 | nM | 6.05 | Spectrophotometic Assay: Spectrophotometic Assay: This novel assay was used to d... | - |
| Glutaminyl-peptide cyclotransferase | IC50 | = | 882.0 | nM | 6.05 | Fluorometric Assay: All measurements were performed with a BioAssay Reader HTS-7... | - |
Data from ChEMBL 36 via Core Engine