Compound Detail
CHEMBL1160571
PYROPHOSPHORIC ACID 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL1160571 |
| Name | PYROPHOSPHORIC ACID |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | XPPKVPWEQAFLFU-UHFFFAOYSA-N |
1
Targets
17
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
178.0
MW (Da)
-0.81
ALogP
3
HBA
4
HBD
124.3
PSA (Ų)
0.41
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
Ki 15 meas. best 4.53
IC50 2 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase CHEMBL1782 | Ki | 4.53 | 4.46 | 29800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase | Ki | = | 29800.0 | nM | 4.53 | Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10... | 18327899 |
| Farnesyl pyrophosphate synthase | Ki | = | 40500.0 | nM | 4.39 | Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 | 18327899 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18327899 | 10.1021/jm7015733 | Farnesyl pyrophosphate synthase | 4 |
| 27283786 | 10.1016/j.bmc.2016.05.029 | Unchecked | 4 |
| 10411483 | 10.1021/jm991008q | Ornithine transcarbamylase, mitochondrial | 3 |
| 17145704 | 10.1074/jbc.m607710200 | Human immunodeficiency virus type 1 reverse transcriptase | 3 |
| 20028820 | 10.1128/aac.01216-09 | Hepatitis C virus | 3 |
| 26853167 | 10.1016/j.bmcl.2016.01.072 | Unchecked | 2 |
| 26853167 | 10.1016/j.bmcl.2016.01.072 | Carbonic anhydrase 2 | 1 |
| 26853167 | 10.1016/j.bmcl.2016.01.072 | Carbonic anhydrase 1 | 1 |
| 27283786 | 10.1016/j.bmc.2016.05.029 | Carbonic anhydrase 2 | 1 |
| 27283786 | 10.1016/j.bmc.2016.05.029 | Carbonic anhydrase 1 | 1 |
| 27769035 | 10.1016/j.ejmech.2016.10.013 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine