Compound Detail
CHEMBL3827872
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Basic Information
| ChEMBL ID | CHEMBL3827872 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWXKBCGJLCEZTJ-ZDUSSCGKSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
325.4
MW (Da)
2.84
ALogP
5
HBA
1
HBD
49.0
PSA (Ų)
0.92
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL5763 | IC50 | 4.03 | 4.03 | 94450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 94450.0 | nM | 4.03 | Inhibition of equine serum BChE preincubated for 15 mins followed by addition of... | 27492195 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27492195 | 10.1016/j.bmc.2016.07.043 | Acetylcholinesterase | 2 |
| 27492195 | 10.1016/j.bmc.2016.07.043 | Cholinesterase | 2 |
| 27492195 | 10.1016/j.bmc.2016.07.043 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine