Compound Detail
CHEMBL15321
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Basic Information
| ChEMBL ID | CHEMBL15321 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XRHUQKZDFXUADD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
354.4
MW (Da)
5.84
ALogP
3
HBA
0
HBD
35.0
PSA (Ų)
0.26
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 20000.0 | nM | 4.7 | Antimicrobial activity against Plasmodium falciparum | 20185316 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14980653 | 10.1016/j.bmcl.2003.12.069 | Plasmodium falciparum | 4 |
| 23000294 | 10.1016/j.bmc.2012.08.041 | Mycobacterium tuberculosis | 2 |
| 28094222 | 10.1016/j.bmc.2017.01.002 | Mycobacterium tuberculosis | 2 |
| 33158575 | 10.1016/j.ejmech.2020.112962 | Mycobacterium tuberculosis | 2 |
| 20185316 | 10.1016/j.bmc.2010.01.068 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine