Compound Detail
CHEMBL5764114
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CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@H]1OC(n2ccc3c(N)ncnc32)C(O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL5764114 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WXRGFPHDRFQODR-FYGZEEIGSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
539.7
MW (Da)
2.85
ALogP
9
HBA
5
HBD
150.8
PSA (Ų)
0.26
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 11.0
Ki 1 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase, H3 lysine-79 specific CHEMBL1795117 | Kd | 11.0 | 11.0 | 0.0 | 1 |
| Histone-lysine N-methyltransferase, H3 lysine-79 specific CHEMBL1795117 | Ki | 9.52 | 9.52 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase, H3 lysine-79 specific | Kd | = | 0.01 | nM | 11.0 | Assays of Enzymatic Activity: Unless otherwise indicated, assays of DOT1L enzyma... | - |
| Histone-lysine N-methyltransferase, H3 lysine-79 specific | Ki | = | 0.3 | nM | 9.52 | Assays of Enzymatic Activity: Unless otherwise indicated, assays of DOT1L enzyma... | - |
Data from ChEMBL 36 via Core Engine