Compound Detail
CHEMBL1229950
2-ALLYLPHENOL Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1229950 |
| Name | 2-ALLYLPHENOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QIRNGVVZBINFMX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
134.2
MW (Da)
2.12
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 4.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endolysin CHEMBL5206 | Kd | 4.14 | 4.14 | 72000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endolysin | Kd | = | 72000.0 | nM | 4.14 | Binding affinity to Enterobacteria phage T4 lysozyme L99A/M102H double mutant ex... | 23473072 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19685448 | 10.1002/ps.1820 | Botrytis cinerea | 16 |
| 19685448 | 10.1002/ps.1820 | Pyricularia grisea | 4 |
| 23473072 | 10.1021/jm301823g | Endolysin | 2 |
| - | 10.1016/j.cropro.2007.02.007 | Alternaria solani | 1 |
| - | 10.1016/j.cropro.2007.02.007 | Fulvia fulva | 1 |
| - | 10.1016/j.cropro.2007.02.007 | Botrytis cinerea | 1 |
Data from ChEMBL 36 via Core Engine