imazaquin
AlkaPlorer ID: AK350866
Synonym: None
IUPAC Name: 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic acid
Structure
SMILES: CC(C)C1(C)N=C(C2=NC3=CC=CC=C3C=C2C(=O)O)NC1=O
InChI: InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23)
InChIKey: CABMTIJINOIHOD-UHFFFAOYSA-N
Reference
Comosusols A−D and Comosone A: Cytotoxic Compounds from the Brown Alga <i>Sporochnus comosus</i>
PubChem CID: 54739
CAS: 81335-37-7
SuperNatural Ⅲ: SN0040116-02
COCONUT: CNP0241358.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 311.341
TPSA?: 91.65
MolLogP?: 2.2241
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Abutilon theophrasti | Abutilon theophrasti | Activity | 30.0 | % | 10.1584/jpestics.22.218 |
| Arabidopsis thaliana | Acetolactate synthase | Ki | 3000.0 | nM | 10.1021/jf302206x |
| Arabidopsis thaliana | Acetolactate synthase | Ki | 470000.0 | nM | 10.1021/jf302206x |
| Arabidopsis thaliana | Acetolactate synthase | Ratio Ki | 161.0 | None | 10.1021/jf302206x |
| Avena fatua | Avena fatua | Activity | 50.0 | % | 10.1584/jpestics.22.218 |
| Echinochloa crus-galli | Echinochloa crus-galli | Activity | 30.0 | % | 10.1584/jpestics.22.218 |
| Galium spurium | Galium spurium | Activity | 70.0 | % | 10.1584/jpestics.22.218 |
| Giardia intestinalis | Putative fructose-1,6-bisphosphate aldolase | Potency | 6294.6 | nM | None |
| Glycine max | Glycine max | Activity | 10.0 | % | 10.1584/jpestics.22.218 |
| Homo sapiens | ATPase family AAA domain-containing protein 5 | Potency | 3662.6 | nM | None |
| Homo sapiens | Bile acid receptor FXR | Potency | 7.1 | nM | None |
| Homo sapiens | Importin subunit beta-1/Snurportin-1 | Potency | 63095.7 | nM | None |
| Homo sapiens | Nuclear factor erythroid 2-related factor 2 | Potency | 54482.7 | nM | None |
| Homo sapiens | Peroxisome proliferator-activated receptor delta | Potency | 19952.6 | nM | None |
| Homo sapiens | Survival motor neuron protein | Potency | 2.8 | nM | None |
| Homo sapiens | Thyroid stimulating hormone receptor | Potency | 39810.7 | nM | None |
| Human immunodeficiency virus 1 | Aberrant vpr protein | Potency | 14125.4 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 5858.4 | nM | None |
| Triticum aestivum | Triticum aestivum | Activity | 70.0 | % | 10.1584/jpestics.22.218 |
| Veronica persica | Veronica persica | Activity | 50.0 | % | 10.1584/jpestics.22.218 |
| Xanthium strumarium | Xanthium strumarium | Activity | 95.0 | % | 10.1584/jpestics.22.218 |
| Zea mays | Acetolactate synthase | IC50 | 11800.0 | nM | 10.1584/jpestics.22.6 |
| None | Molecular identity unknown | Potency | 79432.8 | nM | None |
| None | Unchecked | Potency | 1835.6 | nM | None |
