Compound Detail
CHEMBL460806
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
Basic Information
| ChEMBL ID | CHEMBL460806 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | STLHLJNIPYIZBS-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
290.4
MW (Da)
2.34
ALogP
3
HBA
2
HBD
63.5
PSA (Ų)
0.39
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 9.3 | 7.105 | 0.5 | 4 |
| Liver carboxylesterase 1 CHEMBL2265 | Ki | 9.22 | 7.025 | 0.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 0.5012 | nM | 9.3 | Inhibition of human intestinal carboxylesterase after 24 hrs | 19062296 |
| Liver carboxylesterase 1 | Ki | = | 0.6026 | nM | 9.22 | Inhibition of human carboxylesterase 1 after 24 hrs | 19062296 |
| Unchecked | Ki | = | 6.457 | nM | 8.19 | Inhibition of rabbit carboxylesterase after 24 hrs | 19062296 |
| Unchecked | Ki | = | 2398.83 | nM | 5.62 | Inhibition of human intestinal carboxylesterase after 5 mins | 19062296 |
| Unchecked | Ki | = | 4897.79 | nM | 5.31 | Inhibition of rabbit carboxylesterase after 5 mins | 19062296 |
| Liver carboxylesterase 1 | Ki | = | 14791.08 | nM | 4.83 | Inhibition of human carboxylesterase 1 after 5 mins | 19062296 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19062296 | 10.1016/j.bmc.2008.11.008 | Unchecked | 4 |
| 19062296 | 10.1016/j.bmc.2008.11.008 | Liver carboxylesterase 1 | 2 |
Data from ChEMBL 36 via Core Engine