Compound Detail
CHEMBL2251809
PROP-2-YNYL DIPHOSPHATE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL2251809 |
| Name | PROP-2-YNYL DIPHOSPHATE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CEUAGVILADDFJF-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
216.0
MW (Da)
-0.15
ALogP
4
HBA
3
HBD
113.3
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.12 | 6.12 | 750.0 | 2 |
| 4-hydroxy-3-methylbut-2-enyl diphosphate reductase CHEMBL2242741 | IC50 | 5.17 | 5.17 | 6700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 750.0 | nM | 6.12 | Competitive inhibition of Escherichia coli IspG expressed in Escherichia coli BL... | - |
| Unchecked | IC50 | = | 750.0 | nM | 6.12 | Inhibition of Escherichia coli IspG | 25210872 |
| 4-hydroxy-3-methylbut-2-enyl diphosphate reductase | IC50 | = | 6700.0 | nM | 5.17 | Inhibition of Aquifex aeolicus IspH expressed in Escherichia coli BL21 (DE3) usi... | 20426416 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20426416 | 10.1021/ja909664j | 4-hydroxy-3-methylbut-2-enyl diphosphate reductase | 1 |
| - | 10.1039/C2MD00298A | Unchecked | 1 |
| 25210872 | 10.1021/jm5010978 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine