Compound Detail
CHEMBL1301463
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Basic Information
| ChEMBL ID | CHEMBL1301463 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OWAJMROHTFWTPH-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
257.8
MW (Da)
2.60
ALogP
2
HBA
2
HBD
27.6
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.08 | 4.08 | 83000.0 | 1 |
| Acetylcholinesterase CHEMBL2046266 | IC50 | 4.02 | 4.02 | 96000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 83000.0 | nM | 4.08 | Inhibition of recombinant full length Aedes aegypti AChE1 expressed in baculovir... | 28433681 |
| Acetylcholinesterase | IC50 | = | 96000.0 | nM | 4.02 | Inhibition of recombinant full length Anopheles gambiae AChE1 expressed in bacul... | 28433681 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28433681 | 10.1016/j.ejmech.2017.03.050 | Acetylcholinesterase | 3 |
| 28433681 | 10.1016/j.ejmech.2017.03.050 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine