Compound Detail
CHEMBL404612
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Basic Information
| ChEMBL ID | CHEMBL404612 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TVTCAFQKRUWBFZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
185.1
MW (Da)
-1.06
ALogP
4
HBA
3
HBD
107.3
PSA (Ų)
0.17
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.96 | 5.96 | 1110.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.31 | 5.31 | 4900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1110.0 | nM | 5.96 | Inhibition of Escherichia coli DXR | 18158249 |
| Plasmodium falciparum | IC50 | = | 4900.0 | nM | 5.31 | Antimalarial activity against Plasmodium falciparum 3D7 in infected human erythr... | 18158249 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18158249 | 10.1016/j.bmc.2007.12.001 | Unchecked | 1 |
| 18158249 | 10.1016/j.bmc.2007.12.001 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine