Compound Detail
CHEMBL5190643
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CCNC(=O)NCCCSC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL5190643 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KRKFXDWGQXGXSH-OXUWNYNTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
411.5
MW (Da)
-0.53
ALogP
10
HBA
5
HBD
160.4
PSA (Ų)
0.36
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein arginine N-methyltransferase 5 CHEMBL1795116 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein arginine N-methyltransferase 5 | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of PRMT5 (unknown origin) | 35014841 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35014841 | 10.1021/acs.jmedchem.1c01208 | Protein arginine N-methyltransferase 5 | 1 |
Data from ChEMBL 36 via Core Engine