Compound Detail
CHEMBL5840209
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COc1cc(CO)c(-c2cn3ccc(N[C@H]4CC[C@H](NC(=O)CO)CC4)cc3n2)cc1Cl
Basic Information
| ChEMBL ID | CHEMBL5840209 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IVHZDNBMGXJSED-WKILWMFISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
458.9
MW (Da)
2.99
ALogP
7
HBA
4
HBD
108.1
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase SUV39H2 CHEMBL1795177 | IC50 | 8.28 | 8.28 | 5.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase SUV39H2 | IC50 | = | 5.24 | nM | 8.28 | Suv 39H2 Assay: Assay buffer (4 μL) was added into all the wells, including test... | - |
Data from ChEMBL 36 via Core Engine