Compound Detail
CHEMBL494887
TETRAISOPROPYL PYROPHOSPHORAMIDE Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL494887 |
| Name | TETRAISOPROPYL PYROPHOSPHORAMIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IOIMDJXKIMCMIG-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
342.4
MW (Da)
3.21
ALogP
3
HBA
4
HBD
91.5
PSA (Ų)
0.45
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL1914 | IC50 | 6.13 | 6.07 | 733.0 | 2 |
| Acetylcholinesterase CHEMBL4078 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.0 | 4.95 | 10000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 733.0 | nM | 6.13 | Inhibition of human plasma BuchE by Ellman's method | 18817366 |
| Cholinesterase | IC50 | = | 980.0 | nM | 6.01 | Anticholinesterase activity against human plasma BChE | 16570913 |
| Acetylcholinesterase | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of electric eel AchE by Ellman's method | 18817366 |
| Plasmodium falciparum | IC50 | = | 10000.0 | nM | 5.0 | Antiplasmodial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR g... | 19734910 |
| Plasmodium falciparum | IC50 | = | 12589.25 | nM | 4.9 | Antiplasmodial activity against Plasmodium falciparum HB3 after 72 hrs by SYBR g... | 19734910 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19734910 | 10.1038/nchembio.215 | Plasmodium falciparum | 2 |
| 31433188 | 10.1021/acs.jnatprod.9b00563 | Acetylcholinesterase | 2 |
| 16570913 | 10.1021/jm050578p | Acetylcholinesterase | 1 |
| 16570913 | 10.1021/jm050578p | Cholinesterase | 1 |
| 16570913 | 10.1021/jm050578p | Cholinesterases; ACHE & BCHE | 1 |
| 18817366 | 10.1021/jm800564y | Cholinesterase | 1 |
| 18817366 | 10.1021/jm800564y | Acetylcholinesterase | 1 |
| 18817366 | 10.1021/jm800564y | Unchecked | 1 |
| 17417631 | 10.1038/nchembio873 | Unchecked | 1 |
| 31433188 | 10.1021/acs.jnatprod.9b00563 | Danio rerio | 1 |
| 31433188 | 10.1021/acs.jnatprod.9b00563 | Cholinesterase | 1 |
Data from ChEMBL 36 via Core Engine