Compound Detail
CHEMBL3977219
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Basic Information
| ChEMBL ID | CHEMBL3977219 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XOQLCVLZWLEHOX-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
413.5
MW (Da)
4.04
ALogP
5
HBA
1
HBD
50.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.14
EC50 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PRMT5/MEP50 complex CHEMBL3137261 | IC50 | 7.14 | 7.14 | 73.0 | 1 |
| Protein arginine N-methyltransferase 5 CHEMBL1795116 | EC50 | 7.0 | 7.0 | 101.0 | 1 |
| Protein arginine N-methyltransferase 5 CHEMBL1795116 | IC50 | 6.36 | 6.36 | 435.0 | 1 |
| Z-138 CHEMBL4483276 | IC50 | 5.37 | 5.37 | 4260.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PRMT5/MEP50 complex | IC50 | = | 73.0 | nM | 7.14 | Inhibition of human full length FLAG-tagged PRMT5/human His6-tagged MEP50 expres... | 26985292 |
| Protein arginine N-methyltransferase 5 | EC50 | = | 101.0 | nM | 7.0 | Inhibition of PRMT5 in human Z138 cells assessed as decrease in di-methyl argini... | - |
| Protein arginine N-methyltransferase 5 | IC50 | = | 435.0 | nM | 6.36 | Inhibition of PRMT5 in human Z138 cells assessed as reduction in symmetrical dim... | 26985292 |
| Z-138 | IC50 | = | 4260.0 | nM | 5.37 | Antiproliferative activity against human Z138 cells incubated for 5 days by cell... | 26985292 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26985292 | 10.1021/acsmedchemlett.5b00380 | PRMT5/MEP50 complex | 1 |
| 26985292 | 10.1021/acsmedchemlett.5b00380 | Protein arginine N-methyltransferase 5 | 1 |
| 26985292 | 10.1021/acsmedchemlett.5b00380 | Z-138 | 1 |
Data from ChEMBL 36 via Core Engine