Compound Detail
CHEMBL4075482
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)[C@@H](C)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL4075482 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DBAHBQMMBUKXIX-DGVLTSMXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
554.7
MW (Da)
2.64
ALogP
10
HBA
5
HBD
163.7
PSA (Ų)
0.25
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase, H3 lysine-79 specific CHEMBL1795117 | IC50 | 8.2 | 8.2 | 6.3 | 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 | IC50 | = | 6.34 | nM | 8.2 | Inhibition of recombinant human N-terminal GST-tagged DOT1L (2 to 416 residues) ... | 29050780 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29050780 | 10.1016/j.bmcl.2017.10.019 | Histone-lysine N-methyltransferase, H3 lysine-79 specific | 1 |
Data from ChEMBL 36 via Core Engine