Compound Detail
CHEMBL505629
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Basic Information
| ChEMBL ID | CHEMBL505629 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YDYSCRZHYWLSPQ-INIZCTEOSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
378.4
MW (Da)
1.94
ALogP
6
HBA
2
HBD
127.8
PSA (Ų)
0.38
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 8 CHEMBL4657 | IC50 | 6.83 | 6.83 | 147.0 | 1 |
| Dipeptidyl peptidase 9 CHEMBL4793 | IC50 | 6.78 | 6.78 | 168.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.08 | 6.08 | 839.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 8 | IC50 | = | 147.0 | nM | 6.83 | Inhibition of DPP8 | 18602260 |
| Dipeptidyl peptidase 9 | IC50 | = | 168.0 | nM | 6.78 | Inhibition of DPP9 | 18602260 |
| NON-PROTEIN TARGET | IC50 | = | 839.0 | nM | 6.08 | Antiproliferative activity against T cells | 18602260 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 18602260 | 10.1016/j.bmcl.2008.05.101 | Dipeptidyl peptidase 8 | 1 |
| 18602260 | 10.1016/j.bmcl.2008.05.101 | Dipeptidyl peptidase 9 | 1 |
| 18602260 | 10.1016/j.bmcl.2008.05.101 | NON-PROTEIN TARGET | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| - | 10.6019/CHEMBL5724796 | Casein kinase I isoform delta | 1 |
| - | 10.6019/CHEMBL5724796 | Cyclin-dependent kinase 2 | 1 |
| - | 10.6019/CHEMBL5724796 | Glycogen synthase kinase-3 beta | 1 |
| - | 10.6019/CHEMBL5724796 | Mitogen-activated protein kinase 1 | 1 |
| - | 10.6019/CHEMBL5724796 | Aurora kinase A | 1 |
| - | 10.6019/CHEMBL5724796 | Tyrosine-protein kinase ABL1 | 1 |
| - | 10.6019/CHEMBL5724796 | Fibroblast growth factor receptor 2 | 1 |
| - | 10.6019/CHEMBL5724796 | Peregrin | 1 |
| - | 10.6019/CHEMBL5724796 | Transcription intermediary factor 1-alpha | 1 |
| - | 10.6019/CHEMBL5724796 | Bromodomain-containing protein 4 | 1 |
Data from ChEMBL 36 via Core Engine