Compound Detail
CHEMBL5590589
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Nc1ccc2oc(CN3C(=O)c4cc(F)ccc4[C@]34CCN(Cc3ccc(F)cc3)C4=O)cc2n1
Basic Information
| ChEMBL ID | CHEMBL5590589 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZOMVQSCARKHOLD-SANMLTNESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
474.5
MW (Da)
3.97
ALogP
5
HBA
1
HBD
92.7
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein arginine N-methyltransferase 5 CHEMBL1795116 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein arginine N-methyltransferase 5 | IC50 | = | 300.0 | nM | 6.52 | Inhibition of PRMT5 in human HCT-116 cells with MTAP KO assessed as decrease in ... | 39080842 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39080842 | 10.1021/acs.jmedchem.4c00097 | No relevant target | 2 |
| 39080842 | 10.1021/acs.jmedchem.4c00097 | ADMET | 2 |
| 39080842 | 10.1021/acs.jmedchem.4c00097 | Protein arginine N-methyltransferase 5 | 1 |
| 39080842 | 10.1021/acs.jmedchem.4c00097 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine