Compound Detail
CHEMBL389580
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
CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CN(C)CCCCCCN(C)Cc1cccc2ccccc12
Basic Information
| ChEMBL ID | CHEMBL389580 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LRAHGMFKJZCSRN-WHMCYVJPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
580.8
MW (Da)
6.11
ALogP
4
HBA
1
HBD
59.6
PSA (Ų)
0.22
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL3199 | IC50 | 6.91 | 6.91 | 124.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 124.0 | nM | 6.91 | Inhibition of AChE in rat cortex at pH 5 | 17126020 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17126020 | 10.1016/j.bmc.2006.11.009 | Acetylcholinesterase | 1 |
| 17126020 | 10.1016/j.bmc.2006.11.009 | Unchecked | 1 |
| 17126020 | 10.1016/j.bmc.2006.11.009 | Butyrylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine