Compound Detail
CHEMBL3317513
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Basic Information
| ChEMBL ID | CHEMBL3317513 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JDEURDYJJIGSJA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
272.7
MW (Da)
3.82
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.73
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.97 | 4.97 | 10700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 10700.0 | nM | 4.97 | Cytotoxicity against human HL60 cells after 72 hrs by MTT assay | 25014747 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25014747 | 10.1016/j.ejmech.2014.07.010 | NON-PROTEIN TARGET | 2 |
| 25014747 | 10.1016/j.ejmech.2014.07.010 | HL-60 | 1 |
| 25014747 | 10.1016/j.ejmech.2014.07.010 | Raji | 1 |
Data from ChEMBL 36 via Core Engine