Compound Detail
CHEMBL232300
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Basic Information
| ChEMBL ID | CHEMBL232300 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WOJNREJLOHSMIT-VVLLFNJHSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
339.5
MW (Da)
4.31
ALogP
3
HBA
2
HBD
66.4
PSA (Ų)
0.33
QED
0
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.37 | 4.37 | 43000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 43000.0 | nM | 4.37 | Antiproliferative activity against human HL60 cells after 24 hrs by Alamar blue ... | 25172146 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17321747 | 10.1016/j.bmc.2007.02.008 | HL-60 | 6 |
| 25172146 | 10.1016/j.bmc.2014.07.024 | NON-PROTEIN TARGET | 2 |
| 25172146 | 10.1016/j.bmc.2014.07.024 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine