Compound Detail
CHEMBL5584160
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O=C1c2cc(F)ccc2[C@]2(CCN(Cc3ccc(F)cc3)C2=O)N1Cc1cc2ncccc2[nH]1
Basic Information
| ChEMBL ID | CHEMBL5584160 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LBACAWHGMXZBGY-SANMLTNESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
458.5
MW (Da)
4.12
ALogP
3
HBA
1
HBD
69.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PRMT5/MEP50 complex CHEMBL3137261 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Protein arginine N-methyltransferase 5 CHEMBL1795116 | IC50 | 6.42 | 6.42 | 380.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PRMT5/MEP50 complex | IC50 | = | 8.0 | nM | 8.1 | Inhibition of PRMT5 (1 to 637 residues)/MEP504 (2 to 342 residues)(unknown origi... | 39080842 |
| Protein arginine N-methyltransferase 5 | IC50 | = | 380.0 | nM | 6.42 | 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 | PRMT5/MEP50 complex | 1 |
| 39080842 | 10.1021/acs.jmedchem.4c00097 | No relevant target | 1 |
| 39080842 | 10.1021/acs.jmedchem.4c00097 | ADMET | 1 |
| 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