Compound Detail
CHEMBL143948
BROMOHYDRIN PYROPHOSPHATE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL143948 |
| Name | BROMOHYDRIN PYROPHOSPHATE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YKAYCWPQDPILSA-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
343.0
MW (Da)
0.75
ALogP
5
HBA
4
HBD
133.5
PSA (Ų)
0.39
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 8.0 | 7.7733 | 10.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 10.0 | nM | 8.0 | Effective concentration to activate gammadelta T cells | 12383012 |
| Unchecked | EC50 | = | 20.0 | nM | 7.7 | Effective concentration range of compound was determined in stimulating Vgamma9 ... | 12657258 |
| Unchecked | EC50 | = | 23.85 | nM | 7.62 | Agonist activity at human Vgamma9Vdelta2 receptor expressed in T cells assessed ... | 18303828 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12383012 | 10.1021/jm020224n | Unchecked | 1 |
| 12657258 | 10.1016/s0960-894x(03)00138-0 | Unchecked | 1 |
| 18303828 | 10.1021/jm701101g | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine