Compound Detail
CHEMBL3781227
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Basic Information
| ChEMBL ID | CHEMBL3781227 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IGTBSDZAEVYRPZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
268.3
MW (Da)
3.18
ALogP
4
HBA
2
HBD
70.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutaminyl-peptide cyclotransferase CHEMBL4508 | IC50 | 4.79 | 4.79 | 16100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutaminyl-peptide cyclotransferase | IC50 | = | 16100.0 | nM | 4.79 | Inhibition of human recombinant glutaminyl cyclase expressed in Escherichia coli... | 27061673 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27061673 | 10.1016/j.bmc.2016.03.064 | Glutaminyl-peptide cyclotransferase | 2 |
Data from ChEMBL 36 via Core Engine