Compound Detail
CHEMBL1076547
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
CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CCN(CC(c4ccccc4)c4ccccc4)[C@@H]2N3C)cc1
Basic Information
| ChEMBL ID | CHEMBL1076547 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KNGAQMBDICLRPO-GIWKVKTRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
545.7
MW (Da)
7.99
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.26
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL2528 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of mouse serum BChE after 1 hr by modified Ellman's colorimetric meth... | 20137934 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20137934 | 10.1016/j.bmcl.2010.01.057 | Acetylcholinesterase | 1 |
| 20137934 | 10.1016/j.bmcl.2010.01.057 | Cholinesterase | 1 |
| 20137934 | 10.1016/j.bmcl.2010.01.057 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine