Compound Detail
CHEMBL1922604
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1922604 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LCFXFDGYDKNWMD-UHFFFAOYSA-M |
| Parent Compound | CHEMBL205338 |
| Active Moiety | CHEMBL205338 |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
197.1
MW (Da)
-0.21
ALogP
3
HBA
3
HBD
98.1
PSA (Ų)
0.33
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic CHEMBL4295619 | IC50 | 7.64 | 7.63 | 23.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 7.3 | 6.46 | 50.0 | 2 |
| Plasmodium falciparum CHEMBL364 | IC50 | 7.05 | 6.4633 | 90.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic | IC50 | = | 23.0 | nM | 7.64 | Inhibition of Plasmodium falciparum DXR assessed as reduction in NADPH oxidation... | 30192536 |
| 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic | IC50 | = | 24.0 | nM | 7.62 | Inhibition of Plasmodium falciparum DXR | 30192536 |
| Unchecked | IC50 | = | 50.0 | nM | 7.3 | Inhibition of Escherichia coli IspC | - |
| Plasmodium falciparum | IC50 | = | 90.0 | nM | 7.05 | Growth inhibition of Plasmodium falciparum | 30192536 |
| Plasmodium falciparum | IC50 | = | 511.0 | nM | 6.29 | Growth inhibition of Plasmodium falciparum 3D7 asynchronous cultures by PicoGree... | 30192536 |
| Plasmodium falciparum | IC50 | = | 893.0 | nM | 6.05 | Antimalarial activity against chloroquine and mefloquine-resistant Plasmodium fa... | 25881827 |
| Unchecked | IC50 | = | 2390.0 | nM | 5.62 | Inhibition of His-tagged Mycobacterium tuberculosis DXR expressed in Escherichia... | 23914289 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23914289 | 10.1039/c3md00085k | Unchecked | 3 |
| 30192536 | 10.1021/acs.jmedchem.8b01026 | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic | 3 |
| 22024034 | 10.1016/j.bmcl.2011.09.123 | Escherichia coli | 2 |
| 22024034 | 10.1016/j.bmcl.2011.09.123 | Staphylococcus aureus | 2 |
| 30192536 | 10.1021/acs.jmedchem.8b01026 | Plasmodium falciparum | 2 |
| 22024034 | 10.1016/j.bmcl.2011.09.123 | Acinetobacter | 1 |
| 22024034 | 10.1016/j.bmcl.2011.09.123 | Mycobacterium tuberculosis | 1 |
| 22024034 | 10.1016/j.bmcl.2011.09.123 | Enterococcus faecalis | 1 |
| 22024034 | 10.1016/j.bmcl.2011.09.123 | Bacillus anthracis | 1 |
| 23914289 | 10.1039/c3md00085k | Mycobacterium tuberculosis | 1 |
| - | 10.1039/C2MD00298A | Unchecked | 1 |
| 25881827 | 10.1016/j.bmcl.2015.03.077 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine