Compound Detail
CHEMBL2289345
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Basic Information
| ChEMBL ID | CHEMBL2289345 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMJGYTVUVRUMDD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
402.1
MW (Da)
2.59
ALogP
6
HBA
1
HBD
90.8
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetolactate synthase, chloroplastic CHEMBL4263 | IC50 | 7.66 | 7.66 | 21.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetolactate synthase, chloroplastic | IC50 | = | 21.88 | nM | 7.66 | Inhibition of acetolactate synthase in 6-7 days old etiolated Pisum sativum (pea... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1584/jpestics.21.293 | Echinochloa crus-galli | 6 |
| - | 10.1584/jpestics.21.293 | Xanthium strumarium | 4 |
| - | 10.1584/jpestics.21.293 | Ipomoea lacunosa | 4 |
| - | 10.1584/jpestics.21.293 | Abutilon theophrasti | 4 |
| - | 10.1584/jpestics.21.293 | Glycine max | 4 |
| - | 10.1584/jpestics.21.293 | Zea mays | 4 |
| - | 10.1584/jpestics.21.293 | Gossypium hirsutum | 4 |
| - | 10.1584/jpestics.21.293 | Cyperus iria | 2 |
| - | 10.1584/jpestics.21.293 | Chenopodium album | 2 |
| - | 10.1584/jpestics.21.293 | Amaranthus retroflexus | 2 |
| - | 10.1584/jpestics.21.293 | Persicaria nodosa | 2 |
| - | 10.1584/jpestics.21.293 | Digitaria sanguinalis | 2 |
| - | 10.1584/jpestics.21.293 | Acetolactate synthase, chloroplastic | 1 |
Data from ChEMBL 36 via Core Engine