Compound Detail
CHEMBL203195
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Basic Information
| ChEMBL ID | CHEMBL203195 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HNOOCSFLRCFDKF-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
345.5
MW (Da)
2.94
ALogP
5
HBA
1
HBD
48.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutaminyl-peptide cyclotransferase CHEMBL4508 | Ki | 7.05 | 7.05 | 90.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutaminyl-peptide cyclotransferase | Ki | = | 90.0 | nM | 7.05 | Inhibitory activity against human glutaminyl cyclase | 16420052 |
| Glutaminyl-peptide cyclotransferase | Ki | = | 90.0 | nM | 7.05 | Inhibition of human glutaminyl cyclase expressed in Pichia pastoris by pGAP coup... | 19863057 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19863057 | 10.1021/jm900969p | Glutaminyl-peptide cyclotransferase | 2 |
| 16420052 | 10.1021/jm050756e | Glutaminyl-peptide cyclotransferase | 1 |
Data from ChEMBL 36 via Core Engine