Compound Detail
CHEMBL3317516
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Basic Information
| ChEMBL ID | CHEMBL3317516 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NAIAWYFLUAEJDT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
298.3
MW (Da)
3.18
ALogP
5
HBA
1
HBD
68.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.28 | 4.28 | 53000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 53000.0 | nM | 4.28 | 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 | 1 |
Data from ChEMBL 36 via Core Engine