Compound Detail
CHEMBL2271024
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Basic Information
| ChEMBL ID | CHEMBL2271024 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HCGNYLIHUYAKLR-SILNSSARSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
1
Publications
0
Known Names
Molecular Properties
333.8
MW (Da)
3.95
ALogP
4
HBA
0
HBD
47.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Echinochloa esculenta CHEMBL2367301 | IC50 | 8.55 | 8.55 | 2.8 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 14.4 | hr | Echinochloa esculenta |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Echinochloa esculenta | IC50 | = | 2.818 | nM | 8.55 | Herbicidal activity against Echinochloa esculenta assessed as inhibition of root... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1271/bbb.57.1913 | Echinochloa esculenta | 8 |
Data from ChEMBL 36 via Core Engine