Compound Detail
CHEMBL3907289
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Basic Information
| ChEMBL ID | CHEMBL3907289 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PLRPRYDOPJNKDZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
434.9
MW (Da)
3.16
ALogP
6
HBA
2
HBD
87.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| WD repeat-containing protein 5 CHEMBL1075317 | IC50 | 7.33 | 7.33 | 46.5 | 1 |
| MLL1/ASH2L/RBBP5/WDR5 complex CHEMBL3137282 | IC50 | 5.34 | 5.34 | 4600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| WD repeat-containing protein 5 | IC50 | = | 46.5 | nM | 7.33 | Inhibition of C-terminal 5-FAM-ARTEVHLRKS binding to WDR5 (unknown origin) by fl... | 27720555 |
| MLL1/ASH2L/RBBP5/WDR5 complex | IC50 | = | 4600.0 | nM | 5.34 | Inhibition of recombinant MLL1 (unknown origin) interaction with recombinant ASH... | 27720555 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27720555 | 10.1016/j.bmc.2016.09.073 | NON-PROTEIN TARGET | 2 |
| 27720555 | 10.1016/j.bmc.2016.09.073 | WD repeat-containing protein 5 | 1 |
| 27720555 | 10.1016/j.bmc.2016.09.073 | ADMET | 1 |
| 27720555 | 10.1016/j.bmc.2016.09.073 | MLL1/ASH2L/RBBP5/WDR5 complex | 1 |
Data from ChEMBL 36 via Core Engine