Compound Detail
CHEMBL5180177
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Nc1ncnc2c1ccn2[C@H]1O[C@@H]([C@H](O)c2ccc(Cl)c(F)c2)[C@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL5180177 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GTCYWLXMJRCJNE-QDEPRCCBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
394.8
MW (Da)
1.16
ALogP
8
HBA
4
HBD
126.7
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 10.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein arginine N-methyltransferase 5 CHEMBL1795116 | Ki | 10.7 | 10.7 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein arginine N-methyltransferase 5 | Ki | = | 0.02 | nM | 10.7 | Binding affinity to PRMT5 (unknown origin) assessed as inhibition constant | 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