Compound Detail
CHEMBL5401005
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 | CHEMBL5401005 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QOTIWASVHCRBPN-UHFFFAOYSA-N |
| Parent Compound | CHEMBL5498747 |
| Active Moiety | CHEMBL5498747 |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
333.3
MW (Da)
3.57
ALogP
3
HBA
1
HBD
32.3
PSA (Ų)
0.89
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL2046266 | IC50 | 5.38 | 5.38 | 4200.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.33 | 5.33 | 4700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 4200.0 | nM | 5.38 | Inhibition of recombinant Anopheles gambiae AchE1 using acetylthiocholine iodide... | 37094110 |
| Unchecked | IC50 | = | 4700.0 | nM | 5.33 | Inhibition of recombinant Aedes aegypti AchE1 using acetylthiocholine iodide as ... | 37094110 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37094110 | 10.1021/acs.jmedchem.3c00234 | Acetylcholinesterase | 2 |
| 37094110 | 10.1021/acs.jmedchem.3c00234 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine