Compound Detail
CHEMBL2287699
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Basic Information
| ChEMBL ID | CHEMBL2287699 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KLQXTJFVYRRYOC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
198.3
MW (Da)
1.38
ALogP
5
HBA
2
HBD
59.6
PSA (Ų)
0.54
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trans-cinnamate 4-monooxygenase CHEMBL2268005 | IC50 | 4.35 | 4.35 | 45000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trans-cinnamate 4-monooxygenase | IC50 | = | 45000.0 | nM | 4.35 | Inhibition of Populus sieboldii x Populus grandidentata trans-cinnamate 4-hydrox... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1584/jpestics.30.406 | Trans-cinnamate 4-monooxygenase | 1 |
Data from ChEMBL 36 via Core Engine