Compound Detail
CHEMBL3827910
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Basic Information
| ChEMBL ID | CHEMBL3827910 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CCVOLLCITTYDJG-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
339.4
MW (Da)
4.12
ALogP
4
HBA
0
HBD
30.9
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.4
Ki 1 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL5763 | IC50 | 5.4 | 5.4 | 3950.0 | 1 |
| Cholinesterase CHEMBL5763 | Ki | 5.17 | 5.17 | 6720.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 3950.0 | nM | 5.4 | Inhibition of equine serum BChE preincubated for 15 mins followed by addition of... | 27492195 |
| Cholinesterase | Ki | = | 6720.0 | nM | 5.17 | Mixed-type inhibition of equine serum BChE preincubated for 15 mins followed by ... | 27492195 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27492195 | 10.1016/j.bmc.2016.07.043 | Cholinesterase | 3 |
| 27492195 | 10.1016/j.bmc.2016.07.043 | Acetylcholinesterase | 2 |
Data from ChEMBL 36 via Core Engine