Compound Detail
CHEMBL2323929
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Basic Information
| ChEMBL ID | CHEMBL2323929 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XOMNXQOJHOTAPH-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
260.2
MW (Da)
0.54
ALogP
4
HBA
3
HBD
111.0
PSA (Ų)
0.30
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.05
EC50 2 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 8.05 | 7.5367 | 8.9 | 3 |
| Plasmodium falciparum CHEMBL364 | EC50 | 6.77 | 6.76 | 170.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 8.9 | nM | 8.05 | Inhibition of Plasmodium falciparum recombinant DXR using DXP as substrate prein... | 23795240 |
| Unchecked | Ki | = | 35.0 | nM | 7.46 | Inhibition of Escherichia coli recombinant DXR using DXP as substrate preincubat... | 23795240 |
| Unchecked | Ki | = | 79.0 | nM | 7.1 | Inhibition of recombinant Toxoplasma gondii DXR catalytic domain (68 to 513) exp... | 23428849 |
| Plasmodium falciparum | EC50 | = | 170.0 | nM | 6.77 | Antimalarial activity against Plasmodium falciparum Dd2 after 3 days by SYBR gre... | 23795240 |
| Plasmodium falciparum | EC50 | = | 180.0 | nM | 6.75 | Antimalarial activity against Plasmodium falciparum 3D7 after 3 days by SYBR gre... | 23795240 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23795240 | 10.1021/ml300419r | Unchecked | 4 |
| 23795240 | 10.1021/ml300419r | Plasmodium falciparum | 2 |
| 23795240 | 10.1021/ml300419r | WI-38 | 1 |
| 23428849 | 10.1016/j.bmcl.2013.01.097 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine