Compound Detail
CHEMBL4091675
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Basic Information
| ChEMBL ID | CHEMBL4091675 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FWXRWZZEHLVULO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
418.5
MW (Da)
3.87
ALogP
8
HBA
2
HBD
101.9
PSA (Ų)
0.47
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| K562 CHEMBL385 | IC50 | 4.4 | 4.4 | 39520.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | IC50 | = | 39520.0 | nM | 4.4 | Cytotoxicity against human K562 cells after 48 hrs by MTT assay | 28301155 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28301155 | 10.1021/acs.jmedchem.6b01879 | K562/A02 | 2 |
| 28301155 | 10.1021/acs.jmedchem.6b01879 | K562 | 1 |
| 28301155 | 10.1021/acs.jmedchem.6b01879 | ATP-dependent translocase ABCB1 | 1 |
Data from ChEMBL 36 via Core Engine