Compound Detail
CHEMBL337993
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Basic Information
| ChEMBL ID | CHEMBL337993 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AIDSRAJOUOPSSB-UKTHLTGXSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
289.3
MW (Da)
4.20
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 4000.0 | nM | 5.4 | Antimicrobial activity against Plasmodium falciparum | 20185316 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19200740 | 10.1016/j.bmc.2008.12.052 | NAD(P)H dehydrogenase [quinone] 1 | 2 |
| 12930149 | 10.1021/jm0300983 | Protein kinase Pfmrk | 1 |
| 15481979 | 10.1021/jm040108f | Protein kinase Pfmrk | 1 |
| 19200740 | 10.1016/j.bmc.2008.12.052 | ADMET | 1 |
| 19200740 | 10.1016/j.bmc.2008.12.052 | Cytochrome P450 1A1 | 1 |
| 19200740 | 10.1016/j.bmc.2008.12.052 | Unchecked | 1 |
| 20185316 | 10.1016/j.bmc.2010.01.068 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine