Compound Detail
CHEMBL469319
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Basic Information
| ChEMBL ID | CHEMBL469319 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AXSQZZOUJLWOOO-UHFFFAOYSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
391.5
MW (Da)
2.21
ALogP
6
HBA
5
HBD
98.0
PSA (Ų)
0.23
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| K562 CHEMBL385 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.06 | 5.83 | 870.0 | 2 |
| CCRF-CEM CHEMBL382 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| L1210 CHEMBL386 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 4.96 | 4.955 | 11100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | IC50 | = | 800.0 | nM | 6.1 | Cytotoxicity against human K562 cells after 72 hrs by MTT assay | 21144624 |
| NON-PROTEIN TARGET | IC50 | = | 870.0 | nM | 6.06 | Cytotoxicity against human Molt4/C8 cells after 72 hrs by MTT assay | 21144624 |
| CCRF-CEM | IC50 | = | 1100.0 | nM | 5.96 | Cytotoxicity against human CEM cells after 72 hrs by MTT assay | 21144624 |
| L1210 | IC50 | = | 1200.0 | nM | 5.92 | Cytotoxicity against mouse L1210 cells after 48 hrs by MTT assay | 21144624 |
| NON-PROTEIN TARGET | IC50 | = | 2500.0 | nM | 5.6 | Cytotoxicity against human K562/4 cells after 72 hrs by MTT assay | 21144624 |
| HCT-116 | IC50 | = | 11100.0 | nM | 4.96 | Cytotoxicity against human HCT116 cells after 72 hrs by MTT assay | 21144624 |
| HCT-116 | IC50 | = | 11300.0 | nM | 4.95 | Cytotoxicity against human p53 knockout HCT116 cells after 72 hrs by MTT assay | 21144624 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21144624 | 10.1016/j.ejmech.2010.11.017 | HCT-116 | 3 |
| 21144624 | 10.1016/j.ejmech.2010.11.017 | NON-PROTEIN TARGET | 2 |
| 21144624 | 10.1016/j.ejmech.2010.11.017 | K562 | 2 |
| 19208482 | 10.1016/j.bmc.2009.01.047 | K562 | 1 |
| 19208482 | 10.1016/j.bmc.2009.01.047 | HCT-116 | 1 |
| 21144624 | 10.1016/j.ejmech.2010.11.017 | L1210 | 1 |
| 21144624 | 10.1016/j.ejmech.2010.11.017 | CCRF-CEM | 1 |
Data from ChEMBL 36 via Core Engine