Compound Detail
CHEMBL2272724
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O=C(N/N=C\c1ccc(C(F)(F)F)cc1)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1
Basic Information
| ChEMBL ID | CHEMBL2272724 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UHUNBKQMVNWSPZ-MNDYBZJGSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
458.4
MW (Da)
6.17
ALogP
3
HBA
2
HBD
70.1
PSA (Ų)
0.25
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Brassica rapa subsp. oleifera CHEMBL2366828 | EC50 | 4.85 | 4.85 | 14250.0 | 1 |
| Echinochloa crus-galli CHEMBL612343 | EC50 | 4.85 | 4.85 | 14250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Echinochloa crus-galli | EC50 | = | 14250.0 | nM | 4.85 | Herbicidal activity against Echinochloa crus-galli (barnyard grass) | 22469592 |
| Brassica rapa subsp. oleifera | EC50 | = | 14250.0 | nM | 4.85 | Herbicidal activity against Brassica rapa subsp. oleifera | 22469592 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22469592 | 10.3390/molecules17043969 | Echinochloa crus-galli | 3 |
| 22469592 | 10.3390/molecules17043969 | Brassica rapa subsp. oleifera | 3 |
Data from ChEMBL 36 via Core Engine