Compound Detail
CHEMBL460808
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Basic Information
| ChEMBL ID | CHEMBL460808 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HKZIQFVASKZXFR-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
262.3
MW (Da)
1.56
ALogP
3
HBA
2
HBD
63.5
PSA (Ų)
0.42
QED
0
Ro5 Violations
7
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 | 6.4425 | 0.5 | 4 |
| Liver carboxylesterase 1 CHEMBL2265 | Ki | 8.48 | 6.29 | 3.3 | 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 | = | 3.311 | nM | 8.48 | Inhibition of human carboxylesterase 1 after 24 hrs | 19062296 |
| Unchecked | Ki | = | 21.88 | nM | 7.66 | Inhibition of rabbit carboxylesterase after 24 hrs | 19062296 |
| Unchecked | Ki | = | 22908.68 | nM | 4.64 | Inhibition of rabbit carboxylesterase after 5 mins | 19062296 |
| Unchecked | Ki | = | 67608.3 | nM | 4.17 | Inhibition of human intestinal carboxylesterase after 5 mins | 19062296 |
| Liver carboxylesterase 1 | Ki | = | 79432.82 | nM | 4.1 | 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