Compound Detail
CHEMBL2325198
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Basic Information
| ChEMBL ID | CHEMBL2325198 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MYTRGTBDVGKKRO-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
319.4
MW (Da)
1.83
ALogP
5
HBA
2
HBD
87.2
PSA (Ų)
0.90
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.87
Kd 1 meas. best 4.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein arginine N-methyltransferase 3 CHEMBL5891 | IC50 | 6.87 | 6.755 | 134.0 | 2 |
| Bromodomain adjacent to zinc finger domain protein 1A CHEMBL4105737 | Kd | 4.59 | 4.59 | 25600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein arginine N-methyltransferase 3 | IC50 | = | 134.0 | nM | 6.87 | Inhibition of PRMT3 (unknown origin) using C-terminally biotinylated histone H4 ... | 29244490 |
| Protein arginine N-methyltransferase 3 | IC50 | = | 230.0 | nM | 6.64 | Inhibition of PRMT3 (unknown origin) using histone H4 (1 to 24) as substrate aft... | 23445220 |
| Bromodomain adjacent to zinc finger domain protein 1A | Kd | = | 25600.0 | nM | 4.59 | Binding affinity to recombinant human N-terminal His6-tagged BAZ1A (1446 to 1516... | 33333161 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 33333161 | 10.1016/j.bmcl.2020.127745 | Bromodomain adjacent to zinc finger domain protein 1A | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.6019/CHEMBL5724709 | HEK-293T | 2 |
| - | 10.6019/CHEMBL5724709 | U2OS | 2 |
| - | 10.6019/CHEMBL5724709 | Fibroblast | 2 |
| - | 10.6019/CHEMBL5724796 | Casein kinase I isoform delta | 1 |
| - | 10.6019/CHEMBL5724796 | Bromodomain-containing protein 4 | 1 |
| - | 10.6019/CHEMBL5724796 | Transcription intermediary factor 1-alpha | 1 |
| - | 10.6019/CHEMBL5724796 | Peregrin | 1 |
| - | 10.6019/CHEMBL5724796 | Fibroblast growth factor receptor 2 | 1 |
| - | 10.6019/CHEMBL5724796 | Tyrosine-protein kinase ABL1 | 1 |
| - | 10.6019/CHEMBL5724796 | Aurora kinase A | 1 |
| - | 10.6019/CHEMBL5724796 | Mitogen-activated protein kinase 1 | 1 |
| - | 10.6019/CHEMBL5724796 | Glycogen synthase kinase-3 beta | 1 |
| - | 10.6019/CHEMBL5724796 | Cyclin-dependent kinase 2 | 1 |
| 23445220 | 10.1021/jm3018332 | Protein arginine N-methyltransferase 3 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| 29244490 | 10.1021/acs.jmedchem.7b01674 | Protein arginine N-methyltransferase 3 | 1 |
Data from ChEMBL 36 via Core Engine