Compound Detail
CHEMBL5715918
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Basic Information
| ChEMBL ID | CHEMBL5715918 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WUSNMVYWOLUWDD-UHFFFAOYSA-N |
| Parent Compound | CHEMBL6070888 |
| Active Moiety | CHEMBL6070888 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
310.8
MW (Da)
0.65
ALogP
3
HBA
3
HBD
110.6
PSA (Ų)
0.28
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein-arginine deiminase type-1 CHEMBL1909486 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
| Protein-arginine deiminase type-4 CHEMBL6111 | IC50 | 5.23 | 5.23 | 5900.0 | 1 |
| Protein-arginine deiminase type-3 CHEMBL1909488 | IC50 | 5.21 | 5.21 | 6200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein-arginine deiminase type-1 | IC50 | = | 800.0 | nM | 6.1 | Affinity Biochemical interaction: (enzyme inhibition, measure production of citr... | - |
| Protein-arginine deiminase type-4 | IC50 | = | 5900.0 | nM | 5.23 | Selectivity interaction (Enzymatic assay) EUB0002538aAD PADI4 | - |
| Protein-arginine deiminase type-3 | IC50 | = | 6200.0 | nM | 5.21 | Selectivity interaction (Enzymatic assay) EUB0002538aAD PADI3 | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5715260 | Protein-arginine deiminase type-4 | 1 |
| - | 10.6019/CHEMBL5715260 | Protein-arginine deiminase type-3 | 1 |
| - | 10.6019/CHEMBL5723035 | Protein-arginine deiminase type-1 | 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