Compound Detail
CHEMBL290691
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Basic Information
| ChEMBL ID | CHEMBL290691 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IDRQWHHJOQTROJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
434.6
MW (Da)
2.76
ALogP
6
HBA
0
HBD
19.4
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 1000.0 | nM | 6.0 | Antimicrobial activity against Plasmodium falciparum | 20185316 |
| NON-PROTEIN TARGET | IC50 | = | 100000.0 | nM | 4.0 | Antimicrobial activity against Leishmania | 20185316 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15026037 | 10.1016/j.bmcl.2004.01.070 | Plasmodium falciparum | 2 |
| 15115412 | 10.1021/jm030545e | Plasmodium falciparum | 2 |
| 15115412 | 10.1021/jm030545e | Calf thymus DNA | 1 |
| 15115412 | 10.1021/jm030545e | Nucleic Acid | 1 |
| 20185316 | 10.1016/j.bmc.2010.01.068 | Plasmodium falciparum | 1 |
| 20185316 | 10.1016/j.bmc.2010.01.068 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine