Compound Detail
CHEMBL509554
ISOPROPYL METHYLPHOSPHONOFLUORIDATE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL509554 |
| Name | ISOPROPYL METHYLPHOSPHONOFLUORIDATE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DYAHQFWOVKZOOW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
140.1
MW (Da)
2.20
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4078 | Kd | 5.66 | 5.66 | 2200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | Kd | = | 2200.0 | nM | 5.66 | Binding affinity to Electric eel AChE | 28404526 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18479118 | 10.1021/jm701253t | Acetylcholinesterase | 2 |
| 28404526 | 10.1016/j.bmc.2017.03.058 | Acetylcholinesterase | 2 |
Data from ChEMBL 36 via Core Engine