Compound Detail
CHEMBL2268509
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Basic Information
| ChEMBL ID | CHEMBL2268509 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RBNUZFAOIRZVQC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
298.3
MW (Da)
0.89
ALogP
4
HBA
2
HBD
74.6
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Liver carboxylesterase B-1 CHEMBL2366498 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| Juvenile hormone esterase CHEMBL2366569 | IC50 | 5.75 | 5.75 | 1780.0 | 1 |
| Liver carboxylesterase CHEMBL3383 | IC50 | 5.47 | 5.47 | 3390.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Liver carboxylesterase B-1 | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of carboxylesterase in Fischer 344 Rattus norvegicus (rat) liver micr... | 11743738 |
| Juvenile hormone esterase | IC50 | = | 1780.0 | nM | 5.75 | Inhibition of Trichoplusia ni (cabbage looper) juvenile hormone esterase isolate... | 11743738 |
| Liver carboxylesterase | IC50 | = | 3390.0 | nM | 5.47 | Inhibition of Sus scrofa (pig) carboxylesterase isolated from liver in using p-n... | 11743738 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11743738 | 10.1021/tx015508+ | Liver carboxylesterase | 1 |
| 11743738 | 10.1021/tx015508+ | Liver carboxylesterase B-1 | 1 |
| 11743738 | 10.1021/tx015508+ | Juvenile hormone esterase | 1 |
Data from ChEMBL 36 via Core Engine