Compound Detail
CHEMBL3659482
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Basic Information
| ChEMBL ID | CHEMBL3659482 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICKMOIBSQQCIKY-QFIPXVFZSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
385.4
MW (Da)
4.33
ALogP
4
HBA
1
HBD
67.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.53
Ki 2 meas. best 7.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutaminyl-peptide cyclotransferase CHEMBL4508 | Ki | 7.27 | 7.27 | 53.5 | 2 |
| Glutaminyl-peptide cyclotransferase CHEMBL4508 | IC50 | 6.53 | 6.53 | 297.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutaminyl-peptide cyclotransferase | Ki | = | 53.5 | nM | 7.27 | Spectrophotometic Assay: Spectrophotometic Assay: This novel assay was used to d... | - |
| Glutaminyl-peptide cyclotransferase | Ki | = | 53.5 | nM | 7.27 | Fluorometric Assay: All measurements were performed with a BioAssay Reader HTS-7... | - |
| Glutaminyl-peptide cyclotransferase | IC50 | = | 297.0 | nM | 6.53 | Spectrophotometic Assay: Spectrophotometic Assay: This novel assay was used to d... | - |
| Glutaminyl-peptide cyclotransferase | IC50 | = | 297.0 | nM | 6.53 | Fluorometric Assay: All measurements were performed with a BioAssay Reader HTS-7... | - |
Data from ChEMBL 36 via Core Engine