Compound Detail
CHEMBL3237472
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CN1c2c(nn(-c3ccc(-c4nc5ccccc5o4)cc3)c2-c2ccccc2)-c2ccccc2S1(=O)=O
Basic Information
| ChEMBL ID | CHEMBL3237472 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMQQLACDCQMXDX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
504.6
MW (Da)
6.15
ALogP
6
HBA
0
HBD
81.2
PSA (Ų)
0.29
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.27 | 7.27 | 54.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 54.0 | nM | 7.27 | Inhibition of electric eel AChE type VI-S using acetylthiocholine iodide as subs... | 24681070 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24681070 | 10.1016/j.ejmech.2014.03.035 | Unchecked | 1 |
| 24681070 | 10.1016/j.ejmech.2014.03.035 | Cholinesterase | 1 |
Data from ChEMBL 36 via Core Engine