Compound Detail
CHEMBL221918
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Basic Information
| ChEMBL ID | CHEMBL221918 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JOKUXCUTGANOIB-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
332.3
MW (Da)
4.21
ALogP
3
HBA
2
HBD
62.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NALM-6 CHEMBL614187 | IC50 | 6.42 | 6.42 | 380.0 | 1 |
| Jurkat CHEMBL397 | IC50 | 6.26 | 6.26 | 550.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 6.17 | 6.17 | 680.0 | 1 |
| KG-1 CHEMBL612264 | IC50 | 5.46 | 5.46 | 3510.0 | 1 |
| Egl nine homolog 1 CHEMBL5697 | IC50 | 5.01 | 5.01 | 9700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NALM-6 | IC50 | = | 380.0 | nM | 6.42 | Cytotoxicity against human NALM6 cells incubated for 3 days by CellTiter-Glo lum... | 31253529 |
| Jurkat | IC50 | = | 550.0 | nM | 6.26 | Cytotoxicity against human Jurkat cells incubated for 3 days by CellTiter-Glo lu... | 31253529 |
| HL-60 | IC50 | = | 680.0 | nM | 6.17 | Cytotoxicity against human HL60 cells incubated for 3 days by CellTiter-Glo lumi... | 31253529 |
| KG-1 | IC50 | = | 3510.0 | nM | 5.46 | Cytotoxicity against human KG1 cells incubated for 3 days by CellTiter-Glo lumin... | 31253529 |
| Egl nine homolog 1 | IC50 | = | 9700.0 | nM | 5.01 | Inhibition of human EGLN1 | 16931007 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16931007 | 10.1016/j.bmcl.2006.08.040 | Egl nine homolog 1 | 1 |
| 16931007 | 10.1016/j.bmcl.2006.08.040 | HEK293 | 1 |
| 31253529 | 10.1016/j.bmcl.2019.06.023 | HL-60 | 1 |
| 31253529 | 10.1016/j.bmcl.2019.06.023 | KG-1 | 1 |
| 31253529 | 10.1016/j.bmcl.2019.06.023 | Jurkat | 1 |
| 31253529 | 10.1016/j.bmcl.2019.06.023 | NALM-6 | 1 |
Data from ChEMBL 36 via Core Engine