Compound Detail
CHEMBL507304
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
CCN(CCCCCCN1C(=O)c2ccc(-c3ccc4c(c3)C(=O)N(CCCCCCN(CC)Cc3ccccc3OC)C4=O)cc2C1=O)Cc1ccccc1OC
Basic Information
| ChEMBL ID | CHEMBL507304 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BLQXTZGJGNTPNF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
787.0
MW (Da)
8.73
ALogP
8
HBA
0
HBD
99.7
PSA (Ų)
0.05
QED
2
Ro5 Violations
23
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| Cholinesterase CHEMBL1914 | IC50 | 6.53 | 6.53 | 293.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 14.0 | nM | 7.85 | Inhibition of human recombinant AChE by Ellman's assay | 18954037 |
| Cholinesterase | IC50 | = | 293.0 | nM | 6.53 | Inhibition of human serum BChE by Ellman's assay | 18954037 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18954037 | 10.1021/jm8009684 | Acetylcholinesterase | 2 |
| 18954037 | 10.1021/jm8009684 | Amyloid-beta precursor protein | 1 |
| 18954037 | 10.1021/jm8009684 | Cholinesterase | 1 |
Data from ChEMBL 36 via Core Engine