Compound Detail
CHEMBL503264
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Basic Information
| ChEMBL ID | CHEMBL503264 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NLPGZVNCEWXSMN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
428.1
MW (Da)
4.29
ALogP
4
HBA
0
HBD
52.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.27 | 7.205 | 53.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 53.7 | nM | 7.27 | Inhibition of rabbit carboxylesterase | 19062296 |
| Unchecked | Ki | = | 72.44 | nM | 7.14 | Inhibition of human intestinal carboxylesterase | 19062296 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19062296 | 10.1016/j.bmc.2008.11.008 | Unchecked | 2 |
| 19062296 | 10.1016/j.bmc.2008.11.008 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine