Fumiquinazoline G
AlkaPlorer ID: AK020202
Synonym: None
IUPAC Name: (1R,4R)-4-(1H-indol-3-ylmethyl)-1-methyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
Structure
SMILES: C[C@H]1N=C(O)[C@@H](CC2=CNC3=CC=CC=C23)N2C1=NC1=CC=CC=C1C2=O
InChI: InChI=1S/C21H18N4O2/c1-12-19-24-17-9-5-3-7-15(17)21(27)25(19)18(20(26)23-12)10-13-11-22-16-8-4-2-6-14(13)16/h2-9,11-12,18,22H,10H2,1H3,(H,23,26)/t12-,18-/m1/s1
InChIKey: SUVZUTHVKIBYOH-KZULUSFZSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus fumigatus | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 358.4010000000001
TPSA？: 83.27000000000001
MolLogP？: 3.692700000000002
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Alternaria alternata | Alternaria alternata | MIC | 12.5 | ug.mL-1 | 10.1021/jf300146n |
| Alternaria solani | Alternaria solani | MIC | 25.0 | ug.mL-1 | 10.1021/jf300146n |
| Artemia salina | Artemia salina | LC50 | 78.8 | ug.mL-1 | 10.1021/jf300146n |
| Botrytis cinerea | Botrytis cinerea | MIC | 12.5 | ug.mL-1 | 10.1021/jf300146n |
| Colletotrichum gloeosporioides | Colletotrichum gloeosporioides | MIC | 12.5 | ug.mL-1 | 10.1021/jf300146n |
| Cricetulus griseus | V79 | LD50 | nan | None | 10.1021/acsmedchemlett.1c00589 |
| Fusarium graminearum | Fusarium graminearum | MIC | 12.5 | ug.mL-1 | 10.1021/jf300146n |
| Fusarium oxysporum f. sp. niveum | Fusarium oxysporum f. sp. niveum | MIC | 50.0 | ug.mL-1 | 10.1021/jf300146n |
| Fusarium oxysporum f. sp. vasinfectum | Fusarium oxysporum f. sp. vasinfectum | MIC | 50.0 | ug.mL-1 | 10.1021/jf300146n |
| Fusarium solani | Fusarium solani | MIC | 50.0 | ug.mL-1 | 10.1021/jf300146n |
| Homo sapiens | BXPC-3 | GI50 | 7620.0 | nM | 10.1016/j.ejmech.2020.112506 |
| Homo sapiens | NCI-H460 | GI50 | 7620.0 | nM | 10.1016/j.ejmech.2020.112506 |
| Homo sapiens | PANC-1 | GI50 | 7620.0 | nM | 10.1016/j.ejmech.2020.112506 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 3680.0 | nM | 10.1021/acsmedchemlett.1c00589 |