Compound Detail
CHEMBL5562317
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Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCCNCc2ccc(-c3ccc(Cl)cc3)cc2)[C@@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL5562317 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MOBXZFNRPCKUOV-VBHAUSMQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
555.1
MW (Da)
3.65
ALogP
10
HBA
4
HBD
131.3
PSA (Ų)
0.21
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein arginine N-methyltransferase 7 CHEMBL3562175 | IC50 | 6.53 | 6.53 | 294.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein arginine N-methyltransferase 7 | IC50 | = | 294.0 | nM | 6.53 | Inhibition of PRMT7 (unknown origin) assessed as reduction in HSPA8 methylation | 38359536 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38359536 | 10.1016/j.ejmech.2024.116212 | Protein arginine N-methyltransferase 7 | 2 |
Data from ChEMBL 36 via Core Engine