Compound Detail
CHEMBL3906136
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Basic Information
| ChEMBL ID | CHEMBL3906136 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XAKRWZAZKPLRIX-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
366.5
MW (Da)
3.47
ALogP
4
HBA
2
HBD
44.7
PSA (Ų)
0.75
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.0
EC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PRMT5/MEP50 complex CHEMBL3137261 | IC50 | 6.0 | 5.565 | 1001.0 | 2 |
| Protein arginine N-methyltransferase 5 CHEMBL1795116 | IC50 | 5.26 | 5.26 | 5500.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.26 | 5.26 | 5500.0 | 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 | = | 1001.0 | nM | 6.0 | Inhibition of recombinant human fetal brain FLAG-tagged PRMT5/full length human ... | - |
| Unchecked | IC50 | = | 5500.0 | nM | 5.26 | PRMT5 Biochemical Assay: The assays were all performed in a buffer consisting of... | - |
| Protein arginine N-methyltransferase 5 | IC50 | = | 5500.0 | nM | 5.26 | Biochemical Assay: General Materials.S-adenosylmethionine (SAM), S-adenosylhomoc... | - |
| PRMT5/MEP50 complex | IC50 | = | 7450.0 | nM | 5.13 | Inhibition of human full length FLAG-tagged PRMT5/human His6-tagged MEP50 expres... | 26985292 |
| NON-PROTEIN TARGET | EC50 | = | 10001.0 | nM | 5.0 | Antiproliferative activity against human Z138 cells assessed as inhibition of ce... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26985292 | 10.1021/acsmedchemlett.5b00380 | PRMT5/MEP50 complex | 1 |
Data from ChEMBL 36 via Core Engine