Compound Detail
CHEMBL3342265
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Basic Information
| ChEMBL ID | CHEMBL3342265 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DIHZMVOBBRRTTG-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
316.2
MW (Da)
0.55
ALogP
4
HBA
4
HBD
127.2
PSA (Ų)
0.34
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.04 | 5.04 | 9100.0 | 1 |
| 1-deoxy-D-xylulose 5-phosphate reductoisomerase CHEMBL4091 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 9100.0 | nM | 5.04 | Inhibition of Plasmodium falciparum IspC using 1-deoxy-D-xylulose 5-phosphate as... | 25254502 |
| 1-deoxy-D-xylulose 5-phosphate reductoisomerase | IC50 | = | 11000.0 | nM | 4.96 | Inhibition of Escherichia coli M15 recombinant IspC using 1-deoxy-D-xylulose 5-p... | 25254502 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25254502 | 10.1021/jm500850y | 1-deoxy-D-xylulose 5-phosphate reductoisomerase | 2 |
| 25254502 | 10.1021/jm500850y | Unchecked | 1 |
| 25254502 | 10.1021/jm500850y | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine