Compound Detail
CHEMBL4070411
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Basic Information
| ChEMBL ID | CHEMBL4070411 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XAUVOEYVDZCQIO-ORXWAGORSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
350.4
MW (Da)
0.32
ALogP
9
HBA
3
HBD
103.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CCRF-CEM CHEMBL382 | IC50 | 4.32 | 4.32 | 47620.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CCRF-CEM | IC50 | = | 47620.0 | nM | 4.32 | Cytotoxicity against daunorubicin resistant human CCRF-CEM cells assessed as cel... | 28221790 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28221790 | 10.1021/acs.jmedchem.6b01766 | Unchecked | 2 |
| 28221790 | 10.1021/acs.jmedchem.6b01766 | HCT-116 | 2 |
| 28221790 | 10.1021/acs.jmedchem.6b01766 | BJ | 1 |
| 28221790 | 10.1021/acs.jmedchem.6b01766 | MRC5 | 1 |
| 28221790 | 10.1021/acs.jmedchem.6b01766 | K562 | 1 |
| 28221790 | 10.1021/acs.jmedchem.6b01766 | U2OS | 1 |
| 28221790 | 10.1021/acs.jmedchem.6b01766 | HL-60 | 1 |
| 28221790 | 10.1021/acs.jmedchem.6b01766 | HepG2 | 1 |
| 28221790 | 10.1021/acs.jmedchem.6b01766 | HeLa S3 | 1 |
| 28221790 | 10.1021/acs.jmedchem.6b01766 | CCRF-CEM | 1 |
| 28221790 | 10.1021/acs.jmedchem.6b01766 | A549 | 1 |
Data from ChEMBL 36 via Core Engine