Compound Detail
CHEMBL575771
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Basic Information
| ChEMBL ID | CHEMBL575771 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IXMUKRFOOZSADC-DANNLKNASA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
305.8
MW (Da)
2.00
ALogP
4
HBA
1
HBD
41.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.64 | 5.39 | 2300.0 | 3 |
| A549 CHEMBL392 | IC50 | 5.42 | 5.42 | 3800.0 | 1 |
| B16-F10 CHEMBL612656 | IC50 | 5.16 | 5.16 | 6900.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 4.34 | 4.34 | 46000.0 | 1 |
| NHDF CHEMBL614200 | IC50 | 4.14 | 4.14 | 72100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 2300.0 | nM | 5.64 | Growth inhibition of proapoptotic stimuli-resistant human U373 cells after 72 hr... | 19788245 |
| NON-PROTEIN TARGET | IC50 | = | 3100.0 | nM | 5.51 | Growth inhibition of proapoptotic stimuli-sensitive human Hs683 cells after 72 h... | 19788245 |
| A549 | IC50 | = | 3800.0 | nM | 5.42 | Growth inhibition of proapoptotic stimuli-resistant human A549 cells after 72 hr... | 19788245 |
| B16-F10 | IC50 | = | 6900.0 | nM | 5.16 | Growth inhibition of proapoptotic stimuli-sensitive mouse B16F10 cells after 72 ... | 19788245 |
| NON-PROTEIN TARGET | IC50 | = | 9600.0 | nM | 5.02 | Growth inhibition of proapoptotic stimuli-resistant human OE21 cells after 72 hr... | 19788245 |
| ADMET | IC50 | = | 46000.0 | nM | 4.34 | Growth inhibition of human WI38 cells after 72 hrs by MTT assay | 19788245 |
| NHDF | IC50 | = | 72100.0 | nM | 4.14 | Growth inhibition of human NHDF after 72 hrs by MTT assay | 19788245 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19788245 | 10.1021/jm901031h | NON-PROTEIN TARGET | 3 |
| 19788245 | 10.1021/jm901031h | ADMET | 2 |
| 19788245 | 10.1021/jm901031h | A549 | 1 |
| 19788245 | 10.1021/jm901031h | B16-F10 | 1 |
| 19788245 | 10.1021/jm901031h | SK-MEL-28 | 1 |
| 19788245 | 10.1021/jm901031h | NHDF | 1 |
Data from ChEMBL 36 via Core Engine