Compound Detail
CHEMBL1917826
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COc1ccc2nc3c(c(N4CCCCCN(c5c6c(nc7ccc(OC)cc57)CCCC6)CCCCC4)c2c1)CCCC3
Basic Information
| ChEMBL ID | CHEMBL1917826 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OHVOPLCDAMQVTG-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
592.8
MW (Da)
8.23
ALogP
6
HBA
0
HBD
50.7
PSA (Ų)
0.24
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 5.34 | 5.34 | 4600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 4600.0 | nM | 5.34 | 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