Compound Detail
CHEMBL393474
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Basic Information
| ChEMBL ID | CHEMBL393474 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CBCQWVQNMGNYEO-UHFFFAOYSA-N |
2
Targets
6
Activities
3
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
151.1
MW (Da)
0.15
ALogP
5
HBA
3
HBD
86.7
PSA (Ų)
0.50
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.25
Ki 2 meas. best 6.3
Kd 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 7.7 | 7.7 | 20.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.3 | 5.66 | 500.0 | 2 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.25 | 5.1233 | 5570.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 20.0 | nM | 7.7 | Binding affinity to 1A1 Bacillus subtilis xpt-pbuX RNA guanine riboswitch | 29097169 |
| Unchecked | Ki | = | 500.0 | nM | 6.3 | Displacement of [3H]adenine from adenine 1 receptor in rat brain cortical membra... | 19731917 |
| Plasmodium falciparum | IC50 | = | 5570.0 | nM | 5.25 | Antimalarial activity against chloroquine, pyrimethamine and cycloguanil-resista... | 17548196 |
| Plasmodium falciparum | IC50 | = | 7480.0 | nM | 5.13 | Antimalarial activity against drug-sensitive Plasmodium falciparum 3D7 after 24 ... | 17548196 |
| Unchecked | Ki | = | 9530.0 | nM | 5.02 | Displacement of [3H]adenine from adenine 1 receptor in HEK293 cells by liquid sc... | 19731917 |
| Plasmodium falciparum | IC50 | = | 10210.0 | nM | 4.99 | Antimalarial activity against chloroquine,pyrimethamine-resistant Plasmodium fal... | 17548196 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19731917 | 10.1021/jm9006356 | Unchecked | 5 |
| 17548196 | 10.1016/j.bmc.2007.05.038 | Plasmodium falciparum | 3 |
| 17548196 | 10.1016/j.bmc.2007.05.038 | Unchecked | 3 |
| 17548196 | 10.1016/j.bmc.2007.05.038 | Plasmodium berghei | 2 |
| 17548196 | 10.1016/j.bmc.2007.05.038 | KB | 1 |
| 29097169 | 10.1016/j.bmcl.2017.10.052 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine