Compound Detail
CHEMBL1478435
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Basic Information
| ChEMBL ID | CHEMBL1478435 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RFXDMILSJZCTDQ-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
240.3
MW (Da)
2.97
ALogP
3
HBA
1
HBD
56.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4078 | IC50 | 5.14 | 5.14 | 7190.0 | 1 |
| Cholinesterase CHEMBL5763 | IC50 | 4.44 | 4.44 | 36150.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.14 | 4.14 | 71570.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 7190.0 | nM | 5.14 | Inhibition of Electrophorus electricus AChE pre-incubated for 5 mins before acet... | 26212777 |
| Cholinesterase | IC50 | = | 36150.0 | nM | 4.44 | Inhibition of equine serum BChE pre-incubated for 5 mins before butyrylthiocholi... | 26212777 |
| Unchecked | IC50 | = | 71570.0 | nM | 4.14 | PUBCHEM_BIOASSAY: A small molecule screen for inhibitors of the PhoP region in S... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26212777 | 10.1016/j.bmcl.2015.07.026 | Cholinesterase | 2 |
| 26212777 | 10.1016/j.bmcl.2015.07.026 | Acetylcholinesterase | 2 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine