Compound Detail
CHEMBL4475595
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O=C(NC[C@H]1C[C@@H]2CC[N@@]1C[C@@H]2CN1CCC(Cc2ccccc2)CC1)c1ccc2c(c1)OCO2
Basic Information
| ChEMBL ID | CHEMBL4475595 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XUMIOPFRZHMENK-AYRHNUGRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
475.6
MW (Da)
3.81
ALogP
5
HBA
1
HBD
54.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein arginine N-methyltransferase 5 CHEMBL1795116 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein arginine N-methyltransferase 5 | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of PRMT5 (unknown origin) | 30366617 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30366617 | 10.1016/j.bmcl.2018.10.026 | Protein arginine N-methyltransferase 5 | 1 |
Data from ChEMBL 36 via Core Engine