Compound Detail
CHEMBL2271652
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Basic Information
| ChEMBL ID | CHEMBL2271652 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NHGKFNBFJGDLNM-ZDUSSCGKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
333.9
MW (Da)
4.32
ALogP
5
HBA
1
HBD
53.9
PSA (Ų)
0.78
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Echinochloa crus-galli var. formosensis CHEMBL2367314 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Oryza sativa CHEMBL613061 | IC50 | 6.48 | 6.48 | 331.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Echinochloa crus-galli var. formosensis | IC50 | = | 100.0 | nM | 7.0 | Phytotoxicity in germinated seedlings of Echinochloa crus-galli var. formosensis... | 12400699 |
| Oryza sativa | IC50 | = | 331.13 | nM | 6.48 | Phytotoxicity in germinated seedlings of Oryza sativa (rice) assessed as root gr... | 12400699 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12400699 | 10.1271/bbb.66.1959 | Echinochloa crus-galli var. formosensis | 1 |
| 12400699 | 10.1271/bbb.66.1959 | Oryza sativa | 1 |
Data from ChEMBL 36 via Core Engine