Compound Detail
CHEMBL343480
DIMETHYLALLYL DIPHOSPHATE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL343480 |
| Name | DIMETHYLALLYL DIPHOSPHATE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CBIDRCWHNCKSTO-UHFFFAOYSA-N |
2
Targets
4
Activities
3
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
246.1
MW (Da)
1.18
ALogP
4
HBA
3
HBD
113.3
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.82
IC50 1 meas.
Ki 1 meas. best 4.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Butyrophilin subfamily 3 member A1 CHEMBL4105758 | EC50 | 5.82 | 5.82 | 1500.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.5 | 5.5 | 3160.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.09 | 4.09 | 81000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Butyrophilin subfamily 3 member A1 | EC50 | = | 1500.0 | nM | 5.82 | Activation of BTN3A1 in human PBMC-derived Vgamma9/Vdelta2 T cells assessed as i... | 31268699 |
| Unchecked | EC50 | = | 3160.0 | nM | 5.5 | Effective concentration to activate gammadelta T cells | 12383012 |
| Unchecked | Ki | = | 81000.0 | nM | 4.09 | Inhibition of Populus trichocarpa DXS | 25210872 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31268699 | 10.1021/acs.jmedchem.9b00825 | Butyrophilin subfamily 3 member A1 | 4 |
| 31534661 | 10.1039/C9MD00177H | Tryptophan dimethylallyltransferase | 4 |
| 12383012 | 10.1021/jm020224n | Unchecked | 1 |
| 25210872 | 10.1021/jm5010978 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine