Compound Detail
CHEMBL150643
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Basic Information
| ChEMBL ID | CHEMBL150643 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SENUUPBBLQWHMF-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
136.2
MW (Da)
1.03
ALogP
2
HBA
0
HBD
34.1
PSA (Ų)
0.47
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| K562 CHEMBL385 | IC50 | 5.9 | 5.9 | 1250.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.54 | 5.41 | 2900.0 | 2 |
| A2780 CHEMBL614004 | IC50 | 5.5 | 5.5 | 3200.0 | 1 |
| OVCAR-8 CHEMBL612555 | IC50 | 5.28 | 5.28 | 5200.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.98 | 4.98 | 10400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | IC50 | = | 1250.0 | nM | 5.9 | In vitro cytotoxicity against Human Chronic Leukemia K562 cells | 8558523 |
| Unchecked | IC50 | = | 2900.0 | nM | 5.54 | Growth inhibition of human A2780cis cells after 72 hrs by SRB assay | 29519737 |
| A2780 | IC50 | = | 3200.0 | nM | 5.5 | Growth inhibition of human A2780 cells after 72 hrs by SRB assay | 29519737 |
| OVCAR-8 | IC50 | = | 5200.0 | nM | 5.28 | Growth inhibition of human OVCAR8 cells after 72 hrs by SRB assay | 29519737 |
| Unchecked | IC50 | = | 5300.0 | nM | 5.28 | Growth inhibition of SV-40 immortalized human ovarian epithelial cells after 72 ... | 29519737 |
| Plasmodium falciparum | IC50 | = | 10400.0 | nM | 4.98 | Antiplasmodial activity against Plasmodium falciparum Dd2 by SYBR Green I fluore... | 29519737 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20409720 | 10.1016/j.bmc.2010.03.075 | Unchecked | 6 |
| 29519737 | 10.1016/j.bmcl.2018.02.051 | Unchecked | 3 |
| 8558523 | 10.1021/jm950629q | Nucleic Acid | 2 |
| 24984937 | 10.1016/j.bmc.2014.06.004 | No relevant target | 2 |
| 8558523 | 10.1021/jm950629q | K562 | 1 |
| 8576915 | 10.1021/jm9405147 | ADMET | 1 |
| 8576915 | 10.1021/jm9405147 | No relevant target | 1 |
| 24984937 | 10.1016/j.bmc.2014.06.004 | Botulinum neurotoxin type A | 1 |
| 29519737 | 10.1016/j.bmcl.2018.02.051 | A2780 | 1 |
| 29519737 | 10.1016/j.bmcl.2018.02.051 | OVCAR-8 | 1 |
| 29519737 | 10.1016/j.bmcl.2018.02.051 | Plasmodium falciparum | 1 |
| 29519737 | 10.1016/j.bmcl.2018.02.051 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine