Compound Detail
CHEMBL4585395
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COC1CN=C2c3ccn([C@@H]4O[C@H]([C@H](O)c5ccc(Cl)cc5)[C@@H](O)[C@H]4O)c3N=CN21
Basic Information
| ChEMBL ID | CHEMBL4585395 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JNTYAYKBSNBARW-MDSNGIMYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
432.9
MW (Da)
1.20
ALogP
9
HBA
3
HBD
112.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PRMT5/MEP50 complex CHEMBL3137261 | IC50 | 5.52 | 5.52 | 2990.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PRMT5/MEP50 complex | IC50 | = | 2990.0 | nM | 5.52 | Inhibition of human recombinant PRMT5/MEP50 expressed in baculovirus infected Hi... | 31312404 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31312404 | 10.1021/acsmedchemlett.9b00074 | PRMT5/MEP50 complex | 1 |
| 31312404 | 10.1021/acsmedchemlett.9b00074 | Protein arginine N-methyltransferase 5 | 1 |
| 31312404 | 10.1021/acsmedchemlett.9b00074 | Granta-519 | 1 |
Data from ChEMBL 36 via Core Engine