Compound Detail
CHEMBL5591445
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Basic Information
| ChEMBL ID | CHEMBL5591445 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMXBMYZXFYLGIA-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
478.6
MW (Da)
3.48
ALogP
5
HBA
3
HBD
115.4
PSA (Ų)
0.36
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PRMT5/MEP50 complex CHEMBL3137261 | IC50 | 8.05 | 7.81 | 9.0 | 2 |
| Protein arginine N-methyltransferase 5 CHEMBL1795116 | IC50 | 7.12 | 7.12 | 76.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PRMT5/MEP50 complex | IC50 | = | 9.0 | nM | 8.05 | Inhibition of PRMT5 (1 to 637 residues)/MEP504 (2 to 342 residues)(unknown origi... | 39080842 |
| PRMT5/MEP50 complex | IC50 | = | 27.0 | nM | 7.57 | Inhibition of PRMT5 (1 to 637 residues)/MEP504 (2 to 342 residues)(unknown origi... | 39080842 |
| Protein arginine N-methyltransferase 5 | IC50 | = | 76.0 | nM | 7.12 | Inhibition of PRMT5 in human HCT-116 cells with MTAP KO assessed as decrease in ... | 39080842 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39080842 | 10.1021/acs.jmedchem.4c00097 | PRMT5/MEP50 complex | 2 |
| 39080842 | 10.1021/acs.jmedchem.4c00097 | No relevant target | 1 |
| 39080842 | 10.1021/acs.jmedchem.4c00097 | ADMET | 1 |
| 39080842 | 10.1021/acs.jmedchem.4c00097 | Protein arginine N-methyltransferase 5 | 1 |
| 39080842 | 10.1021/acs.jmedchem.4c00097 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine