Compound Detail
CHEMBL294803
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Basic Information
| ChEMBL ID | CHEMBL294803 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HAGHKJDWBDSFKC-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
418.7
MW (Da)
6.49
ALogP
5
HBA
0
HBD
33.2
PSA (Ų)
0.21
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.46
Ki 1 meas. best 9.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prolyl endopeptidase CHEMBL4035 | Ki | 9.02 | 9.02 | 0.9 | 1 |
| Prolyl endopeptidase CHEMBL3202 | IC50 | 5.46 | 5.46 | 3500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prolyl endopeptidase | Ki | = | 0.95 | nM | 9.02 | Inhibition of POP in rat brain homogenate | 20058865 |
| Prolyl endopeptidase | IC50 | = | 3500.0 | nM | 5.46 | In vitro inhibitory activity against purified prolyl endopeptidase (PEP) from ca... | 8027988 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 8027988 | 10.1021/jm00039a019 | Prolyl endopeptidase | 1 |
| 20058865 | 10.1021/jm901104g | Prolyl endopeptidase | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine