Compound Detail
CHEMBL3262489
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Basic Information
| ChEMBL ID | CHEMBL3262489 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HKHKOTPYNYYBTG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
446.6
MW (Da)
5.73
ALogP
4
HBA
2
HBD
60.6
PSA (Ų)
0.45
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL1914 | IC50 | 7.11 | 7.11 | 77.0 | 1 |
| Cholinesterase CHEMBL5763 | IC50 | 7.11 | 7.11 | 77.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 77.0 | nM | 7.11 | Inhibition of equine serum BChE by Ellman's method | 24819955 |
| Cholinesterase | IC50 | = | 77.0 | nM | 7.11 | Inhibition of BuChE (unknown origin) using acetylthiocholine iodide as substrate... | 33528252 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24819955 | 10.1016/j.ejmech.2014.05.002 | Cholinesterase | 4 |
| 24819955 | 10.1016/j.ejmech.2014.05.002 | HT-22 | 3 |
| 24819955 | 10.1016/j.ejmech.2014.05.002 | Acetylcholinesterase | 2 |
| 24819955 | 10.1016/j.ejmech.2014.05.002 | NON-PROTEIN TARGET | 1 |
| 24819955 | 10.1016/j.ejmech.2014.05.002 | Unchecked | 1 |
| 33528252 | 10.1021/acs.jmedchem.0c01887 | Acetylcholinesterase | 1 |
| 33528252 | 10.1021/acs.jmedchem.0c01887 | Cholinesterase | 1 |
Data from ChEMBL 36 via Core Engine