Compound Detail
CHEMBL2171768
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Basic Information
| ChEMBL ID | CHEMBL2171768 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NRPJNCRKRUUPEY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
289.4
MW (Da)
3.67
ALogP
2
HBA
1
HBD
22.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL5763 | IC50 | 5.57 | 5.57 | 2680.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 2680.0 | nM | 5.57 | Inhibition of equine serum BChE by Ellman's method | 24819955 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24819955 | 10.1016/j.ejmech.2014.05.002 | Cholinesterase | 2 |
| 24819955 | 10.1016/j.ejmech.2014.05.002 | Acetylcholinesterase | 2 |
| 22867019 | 10.1021/jm300605m | HCT-116 | 1 |
| 22867019 | 10.1021/jm300605m | MDA-MB-435 | 1 |
| 22867019 | 10.1021/jm300605m | A549 | 1 |
| 24819955 | 10.1016/j.ejmech.2014.05.002 | NON-PROTEIN TARGET | 1 |
| 24819955 | 10.1016/j.ejmech.2014.05.002 | Unchecked | 1 |
| 24819955 | 10.1016/j.ejmech.2014.05.002 | HT-22 | 1 |
Data from ChEMBL 36 via Core Engine