Compound Detail
CHEMBL3933289
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CCN(c1cc(Br)c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H](N(C)C)CC1
Basic Information
| ChEMBL ID | CHEMBL3933289 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OMFMKHWAFMWBAL-MEMLXQNLSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
531.5
MW (Da)
5.00
ALogP
4
HBA
2
HBD
68.4
PSA (Ų)
0.53
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EZH2 CHEMBL2189110 | IC50 | 8.35 | 8.1925 | 4.5 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EZH2 | IC50 | = | 4.5 | nM | 8.35 | Inhibition Assay: Test compounds were serially diluted 3-fold in DMSO in a 10 po... | - |
| Histone-lysine N-methyltransferase EZH2 | IC50 | = | 5.5 | nM | 8.26 | Inhibition Assay: Test compounds were serially diluted 3-fold in DMSO in a 10 po... | - |
| Histone-lysine N-methyltransferase EZH2 | IC50 | = | 7.3 | nM | 8.14 | Inhibition Assay: Test compounds were serially diluted 3-fold in DMSO in a 10 po... | - |
| Histone-lysine N-methyltransferase EZH2 | IC50 | = | 9.6 | nM | 8.02 | Inhibition Assay: Test compounds were serially diluted 3-fold in DMSO in a 10 po... | - |
Data from ChEMBL 36 via Core Engine