Compound Detail
CHEMBL489770
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Basic Information
| ChEMBL ID | CHEMBL489770 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYCUBTFYRLAMFA-UHFFFAOYSA-N |
8
Targets
12
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
254.3
MW (Da)
3.34
ALogP
5
HBA
1
HBD
50.7
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 10 meas. best 7.6
EC50 2 meas. best 7.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Small conductance calcium-activated potassium channel protein 3 CHEMBL3381 | IC50 | 7.6 | 6.8 | 25.0 | 3 |
| Small conductance calcium-activated potassium channel protein 1 CHEMBL2369 | IC50 | 7.37 | 7.37 | 43.0 | 1 |
| Plasmodium falciparum CHEMBL364 | EC50 | 7.23 | 7.085 | 58.5 | 2 |
| Small conductance calcium-activated potassium channel protein 2 CHEMBL4469 | IC50 | 6.91 | 6.585 | 123.0 | 2 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 6.14 | 6.14 | 718.0 | 1 |
| Methyl-CpG-binding domain protein 2 CHEMBL3707462 | IC50 | 5.81 | 5.81 | 1550.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
| Methyl-CpG-binding protein 2 CHEMBL3638346 | IC50 | 4.98 | 4.98 | 10460.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18774291 | 10.1016/j.bmcl.2008.08.023 | Small conductance calcium-activated potassium channel protein 3 | 4 |
| 20485427 | 10.1038/nature09107 | Plasmodium falciparum | 4 |
| 24075144 | 10.1016/j.bmc.2013.08.048 | Mycobacterium tuberculosis | 3 |
| 18774291 | 10.1016/j.bmcl.2008.08.023 | Small conductance calcium-activated potassium channel protein 2 | 2 |
| 26318065 | 10.1016/j.ejmech.2015.08.013 | ADMET | 2 |
| 18579783 | 10.1073/pnas.0802982105 | Plasmodium falciparum | 2 |
| 20485427 | 10.1038/nature09107 | HepG2 | 1 |
| 18579783 | 10.1073/pnas.0802982105 | Unchecked | 1 |
| 18579783 | 10.1073/pnas.0802982105 | Huh-7 | 1 |
| 20485427 | 10.1038/nature09107 | Unchecked | 1 |
| 22096101 | 10.1126/science.1211936 | Plasmodium yoelii | 1 |
| - | 10.6019/CHEMBL2094269 | Trypanosoma brucei brucei | 1 |
| - | 10.6019/CHEMBL2094269 | MRC5 | 1 |
| - | 10.6019/CHEMBL2095176 | Mycobacterium tuberculosis variant bovis BCG | 1 |
| 18774291 | 10.1016/j.bmcl.2008.08.023 | Intermediate conductance calcium-activated potassium channel protein 4 | 1 |
| - | 10.6019/CHEMBL3433997 | Solute carrier family 2, facilitated glucose transporter member 1 | 1 |
| - | 10.6019/CHEMBL3433997 | Hexose transporter 1 | 1 |
| - | 10.6019/CHEMBL3433997 | Glucose transporter | 1 |
| 26318065 | 10.1016/j.ejmech.2015.08.013 | Leishmania donovani | 1 |
| 26318065 | 10.1016/j.ejmech.2015.08.013 | KB | 1 |
Data from ChEMBL 36 via Core Engine