Compound Detail
CHEMBL2204995
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CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccnc(N3CCN(C)CC3)c2)cc2c1cnn2C(C)C
Basic Information
| ChEMBL ID | CHEMBL2204995 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ULNXAWLQFZMIHX-UHFFFAOYSA-N |
9
Targets
19
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
541.7
MW (Da)
4.31
ALogP
7
HBA
2
HBD
99.2
PSA (Ų)
0.34
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 18 meas. best 8.92
Ki 1 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EZH2 CHEMBL2189110 | IC50 | 8.92 | 5.965 | 1.2 | 8 |
| EZH2/SUZ12/EED/RBBP7/RBBP4 CHEMBL3301388 | Ki | 8.92 | 8.92 | 1.2 | 1 |
| EZH2/SUZ12/EED/RBBP7/RBBP4 CHEMBL3301388 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Histone-lysine N-methyltransferase EZH1 CHEMBL2189116 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
| EZH1/SUZ12/EED/AEBP2/RBBP4 complex CHEMBL3137287 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
| FLC clone 745 CHEMBL6066809 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Histone-lysine N-methyltransferase SETD7 CHEMBL5523 | IC50 | 4.2 | 4.2 | 63000.0 | 1 |
| Protein arginine N-methyltransferase 3 CHEMBL5891 | IC50 | 4.13 | 4.13 | 74000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine