Compound Detail
CHEMBL3263351
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Basic Information
| ChEMBL ID | CHEMBL3263351 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GGBOCVUXKXADAF-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3304422 |
| Active Moiety | CHEMBL3304422 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
305.4
MW (Da)
2.45
ALogP
4
HBA
0
HBD
36.0
PSA (Ų)
0.81
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL5763 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
| Acetylcholinesterase CHEMBL4768 | IC50 | 5.43 | 5.43 | 3700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 900.0 | nM | 6.05 | Inhibition of BuChE in equine serum using butylthiocholine iodide as substrate b... | 24731278 |
| Acetylcholinesterase | IC50 | = | 3700.0 | nM | 5.43 | Inhibition of AChE in bovine erythrocytes using acetylthiocholine iodide as subs... | 24731278 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24731278 | 10.1016/j.bmcl.2014.03.081 | RAW264.7 | 4 |
| 24731278 | 10.1016/j.bmcl.2014.03.081 | NON-PROTEIN TARGET | 2 |
| 24731278 | 10.1016/j.bmcl.2014.03.081 | ADMET | 1 |
| 24731278 | 10.1016/j.bmcl.2014.03.081 | Acetylcholinesterase | 1 |
| 24731278 | 10.1016/j.bmcl.2014.03.081 | Cholinesterase | 1 |
Data from ChEMBL 36 via Core Engine