Compound Detail
CHEMBL609727
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Basic Information
| ChEMBL ID | CHEMBL609727 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VJQMAIIBZHIBSM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
357.4
MW (Da)
3.37
ALogP
5
HBA
3
HBD
108.3
PSA (Ų)
0.34
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 4.04 | 4.04 | 90700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 90700.0 | nM | 4.04 | Inhibition of Arabidopsis thaliana AHAS | 17049866 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17049866 | 10.1016/j.bmc.2006.09.050 | Brassica rapa subsp. oleifera | 2 |
| 17049866 | 10.1016/j.bmc.2006.09.050 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine