Compound Detail
CHEMBL3911120
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C#Cc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)c(N(CC)[C@H]2CC[C@H](N(C)C)CC2)c1
Basic Information
| ChEMBL ID | CHEMBL3911120 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UOOZVKJSIIUQQZ-YHBQERECSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
462.6
MW (Da)
3.91
ALogP
4
HBA
2
HBD
68.4
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EZH2 CHEMBL2189110 | IC50 | 8.47 | 8.1675 | 3.4 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EZH2 | IC50 | = | 3.4 | nM | 8.47 | Inhibition Assay: Test compounds were serially diluted 3-fold in DMSO in a 10 po... | - |
| Histone-lysine N-methyltransferase EZH2 | IC50 | = | 4.0 | nM | 8.4 | Inhibition Assay: Test compounds were serially diluted 3-fold in DMSO in a 10 po... | - |
| Histone-lysine N-methyltransferase EZH2 | IC50 | = | 8.8 | nM | 8.06 | Inhibition Assay: Test compounds were serially diluted 3-fold in DMSO in a 10 po... | - |
| Histone-lysine N-methyltransferase EZH2 | IC50 | = | 18.1 | nM | 7.74 | Inhibition Assay: Test compounds were serially diluted 3-fold in DMSO in a 10 po... | - |
Data from ChEMBL 36 via Core Engine