Compound Detail
CHEMBL3979717
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Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CCNCC4)nc3)cc3c2c(C)cn3C(C)C)c(=O)[nH]1
Basic Information
| ChEMBL ID | CHEMBL3979717 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OCWAKUTWRJNZGR-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
512.7
MW (Da)
4.24
ALogP
6
HBA
3
HBD
95.0
PSA (Ų)
0.36
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EZH2 CHEMBL2189110 | IC50 | 8.03 | 7.785 | 9.3 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EZH2 | IC50 | = | 9.3 | nM | 8.03 | Inhibition Assay: Test compounds were serially diluted 3-fold in DMSO in a 10 po... | - |
| Histone-lysine N-methyltransferase EZH2 | IC50 | = | 10.6 | nM | 7.97 | Inhibition Assay: Test compounds were serially diluted 3-fold in DMSO in a 10 po... | - |
| Histone-lysine N-methyltransferase EZH2 | IC50 | = | 19.1 | nM | 7.72 | Inhibition Assay: Test compounds were serially diluted 3-fold in DMSO in a 10 po... | - |
| Histone-lysine N-methyltransferase EZH2 | IC50 | = | 38.4 | nM | 7.42 | Inhibition Assay: Test compounds were serially diluted 3-fold in DMSO in a 10 po... | - |
Data from ChEMBL 36 via Core Engine