Compound Detail
CHEMBL3973095
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CC(=O)N1CCN(S(=O)(=O)c2ccccc2OCC(=O)NCC(O)CN2CCc3ccccc3C2)CC1
Basic Information
| ChEMBL ID | CHEMBL3973095 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QEDGTEOKLCZELJ-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
530.6
MW (Da)
0.45
ALogP
7
HBA
2
HBD
119.5
PSA (Ų)
0.48
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.0
EC50 1 meas. best 6.0
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 | IC50 | 6.26 | 6.26 | 550.0 | 1 |
| Protein arginine N-methyltransferase 5 CHEMBL1795116 | EC50 | 6.0 | 6.0 | 1001.0 | 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 | IC50 | = | 550.0 | nM | 6.26 | Biochemical Assay: Molecular Biology: Full-length human PRMT5 (NM_006109.3) tran... | - |
| 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... | - |
Data from ChEMBL 36 via Core Engine