Compound Detail
CHEMBL1410004
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Basic Information
| ChEMBL ID | CHEMBL1410004 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WSJVQTJWVHONKW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
1
Known Names
Molecular Properties
344.5
MW (Da)
3.97
ALogP
2
HBA
2
HBD
38.1
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL1914 | IC50 | 6.01 | 6.01 | 987.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 987.0 | nM | 6.01 | Inhibition of BChE (unknown origin) incubated for 10 mins by Ellman's method | 31708262 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31708262 | 10.1016/j.bmcl.2019.126754 | Cholinesterase | 2 |
| 22884224 | 10.1016/j.ejmech.2012.07.031 | Pro-adrenomedullin | 1 |
| 31708262 | 10.1016/j.bmcl.2019.126754 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine