Compound Detail
CHEMBL1914495
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Basic Information
| ChEMBL ID | CHEMBL1914495 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NRUOFFXMUJBBHF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
361.3
MW (Da)
4.48
ALogP
3
HBA
1
HBD
34.1
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL1914 | IC50 | 4.1 | 4.1 | 78800.0 | 1 |
| Acetylcholinesterase CHEMBL220 | IC50 | 4.05 | 4.05 | 89100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 78800.0 | nM | 4.1 | Inhibition of human plasmatic BChE after 5 mins using spectrophotometer by Ellma... | 21920739 |
| Acetylcholinesterase | IC50 | = | 89100.0 | nM | 4.05 | Inhibition of human recombinant AChE after 5 mins using spectrophotometer by Ell... | 21920739 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21920739 | 10.1016/j.bmcl.2011.08.042 | Acetylcholinesterase | 1 |
| 21920739 | 10.1016/j.bmcl.2011.08.042 | Cholinesterase | 1 |
| 21920739 | 10.1016/j.bmcl.2011.08.042 | Cholinesterases; ACHE & BCHE | 1 |
Data from ChEMBL 36 via Core Engine