Compound Detail
CHEMBL2251812
4-HYDROXYBUT-2-YNYL DIPHOSPHATE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL2251812 |
| Name | 4-HYDROXYBUT-2-YNYL DIPHOSPHATE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MRBQWRLYZUORCP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
246.1
MW (Da)
-0.79
ALogP
5
HBA
4
HBD
133.5
PSA (Ų)
0.37
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 4-hydroxy-3-methylbut-2-enyl diphosphate reductase CHEMBL2242741 | IC50 | 4.58 | 4.58 | 26000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 4-hydroxy-3-methylbut-2-enyl diphosphate reductase | IC50 | = | 26000.0 | nM | 4.58 | 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 |
Data from ChEMBL 36 via Core Engine