Compound Detail
CHEMBL1161705
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Basic Information
| ChEMBL ID | CHEMBL1161705 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RLSIIOFLGWOKDY-YFKPBYRVSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
198.1
MW (Da)
-0.56
ALogP
4
HBA
3
HBD
104.1
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 1-deoxy-D-xylulose 5-phosphate reductoisomerase CHEMBL4094 | Ki | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 1-deoxy-D-xylulose 5-phosphate reductoisomerase | Ki | = | 30000.0 | nM | 4.52 | Binding affinity against Synechocystis strain PCC6803 DXP reductoisomerase | 15454217 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15454217 | 10.1016/j.bmcl.2004.08.023 | 1-deoxy-D-xylulose 5-phosphate reductoisomerase | 2 |
Data from ChEMBL 36 via Core Engine