Compound Detail
CHEMBL3980870
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Basic Information
| ChEMBL ID | CHEMBL3980870 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DSMCWHFMQZMIHL-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
400.5
MW (Da)
4.29
ALogP
5
HBA
1
HBD
58.7
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.0
IC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PRMT5/MEP50 complex CHEMBL3137261 | IC50 | 7.0 | 6.63 | 101.0 | 2 |
| Protein arginine N-methyltransferase 5 CHEMBL1795116 | EC50 | 6.0 | 6.0 | 1001.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 5.0 | 5.0 | 10001.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PRMT5/MEP50 complex | IC50 | = | 101.0 | nM | 7.0 | Inhibition of recombinant human fetal brain FLAG-tagged PRMT5/full length human ... | - |
| PRMT5/MEP50 complex | IC50 | = | 550.0 | nM | 6.26 | Enzyme Assay: The assays were all performed in a buffer consisting of 20 mM Bici... | - |
| Protein arginine N-methyltransferase 5 | EC50 | = | 1001.0 | nM | 6.0 | Inhibition of PRMT5 in human Z138 cells assessed as decrease in di-methyl argini... | - |
| NON-PROTEIN TARGET | EC50 | = | 10001.0 | nM | 5.0 | Antiproliferative activity against human Z138 cells assessed as inhibition of ce... | - |
Data from ChEMBL 36 via Core Engine